propyl 4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]benzoate

Systemtic Name: propyl 4-[(4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)carbonylamino]benzoate Openeye Name: propyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)methyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]benzoate Traditional Name: 4-[(4-keto-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)amino]benzoic acid propyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SCCC(=O)N3

InChI

InChI=1S/C20H20N2O4S/c1-2-10-26-20(25)13-3-6-15(7-4-13)21-19(24)14-5-8-17-16(12-14)22-18(23)9-11-27-17/h3-8,12H,2,9-11H2,1H3,(H,21,24)(H,22,23)