[4-[(2-methoxyphenyl)carbonylamino]phenyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: [4-[(2-methoxyphenyl)carbonylamino]phenyl] 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: [4-[(2-methoxybenzoyl)amino]phenyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate CAS Name: 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [4-[[(2-methoxyphenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [4-[(2-methoxybenzoyl)amino]phenyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Traditional Name: 4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylic acid [4-(o-anisoylamino)phenyl] ester Formula: C24H20N2O5S MolecularWeight: 448.491

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)OC(=O)C3=CC4=C(C=C3)SCCC(=O)N4

InChI

InChI=1S/C24H20N2O5S/c1-30-20-5-3-2-4-18(20)23(28)25-16-7-9-17(10-8-16)31-24(29)15-6-11-21-19(14-15)26-22(27)12-13-32-21/h2-11,14H,12-13H2,1H3,(H,25,28)(H,26,27)