Catalog Number:
AG01CADQ
Chemical Name:
6-{[2-methyl-7-(trifluoromethyl)-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl]sulfonyl}-2H-chromen-2-one
CAS Number:
1147644-57-2
Molecular Formula:
C20H16F3NO4S2
Molecular Weight:
455.4705
MDL Number:
MFCD13351666
IUPAC Name:
6-[[2-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-1,5-benzothiazepin-5-yl]sulfonyl]chromen-2-one
InChI:
InChI=1S/C20H16F3NO4S2/c1-12-8-9-24(16-11-14(20(21,22)23)3-6-18(16)29-12)30(26,27)15-4-5-17-13(10-15)2-7-19(25)28-17/h2-7,10-12H,8-9H2,1H3
InChI Key:
HJKCVOYESXZGCA-UHFFFAOYSA-N
SMILES:
CC1CCN(c2c(S1)ccc(c2)C(F)(F)F)S(=O)(=O)c1ccc2c(c1)ccc(=O)o2
