Name: Name:ethyl 2-(1H-pyrrol-1-yl)-4H,5H,7H-thieno[2,3-c]thiopyran-3-carboxylate
Brand: Angene
SKU: AG01A6W4
Rating: 90 (10 reviews)

ethyl 2-(1H-pyrrol-1-yl)-4H,5H,7H-thieno[2,3-c]thiopyran-3-carboxylate

CAS No.:

1333824-44-4

Catalog Number:

AG01A6W4

Molecular Formula:

C14H15NO2S2

Molecular Weight:

293.4044

Catalog Number:

AG01A6W4

Chemical Name:

ethyl 2-(1H-pyrrol-1-yl)-4H,5H,7H-thieno[2,3-c]thiopyran-3-carboxylate

CAS Number:

1333824-44-4

Molecular Formula:

C14H15NO2S2

Molecular Weight:

293.4044

MDL Number:

MFCD25970460

IUPAC Name:

ethyl 2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxylate

InChI:

InChI=1S/C14H15NO2S2/c1-2-17-14(16)12-10-5-8-18-9-11(10)19-13(12)15-6-3-4-7-15/h3-4,6-7H,2,5,8-9H2,1H3

InChI Key:

ICJATMXRHASUFZ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1c(sc2c1CCSC2)n1cccc1

Complexity:

333

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

293.054g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

293.399g/mol

Monoisotopic Mass:

293.054g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1