2-[[[2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one

Systemtic Name: 2-[[[2-(3-methoxy-4-oxidanyl-phenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[[2-(4-hydroxy-3-methoxy-phenyl)-4-oxo-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-3-thiazolidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[[2-(4-hydroxy-3-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[[2-(4-hydroxy-3-methoxy-phenyl)-4-keto-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C20H19N3O4S2 MolecularWeight: 429.51256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2N(C(=O)CS2)NCC3=CC(=O)NC4=CC=CC=C4S3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C2N(C(=O)CS2)NCC3=CC(=O)NC4=CC=CC=C4S3)O

InChI

InChI=1S/C20H19N3O4S2/c1-27-16-8-12(6-7-15(16)24)20-23(19(26)11-28-20)21-10-13-9-18(25)22-14-4-2-3-5-17(14)29-13/h2-9,20-21,24H,10-11H2,1H3,(H,22,25)