methyl 4-[2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4-oxidanylidene-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4-oxo-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-(4-keto-2-phenyl-2,3-dihydro-1,5-benzothiazepin-5-yl)acetyl]amino]benzoic acid methyl ester Formula: C25H22N2O4S MolecularWeight: 446.51818

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)CC(SC3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C25H22N2O4S/c1-31-25(30)18-11-13-19(14-12-18)26-23(28)16-27-20-9-5-6-10-21(20)32-22(15-24(27)29)17-7-3-2-4-8-17/h2-14,22H,15-16H2,1H3,(H,26,28)