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

Systemtic Name: 2-[[[2-(4-methoxyphenyl)-4-oxidanylidene-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Openeye Name: 2-[[[2-(4-methoxyphenyl)-4-oxo-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one CAS Name: 2-[[[2-(4-methoxyphenyl)-4-oxo-3-thiazolidinyl]amino]methyl]-5H-1,5-benzothiazepin-4-one IUPAC Name: 2-[[[2-(4-methoxyphenyl)-4-oxo-1,3-thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Traditional Name: 2-[[[4-keto-2-(4-methoxyphenyl)thiazolidin-3-yl]amino]methyl]-5H-1,5-benzothiazepin-4-one Formula: C20H19N3O3S2 MolecularWeight: 413.51316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O3S2/c1-26-14-8-6-13(7-9-14)20-23(19(25)12-27-20)21-11-15-10-18(24)22-16-4-2-3-5-17(16)28-15/h2-10,20-21H,11-12H2,1H3,(H,22,24)