ethyl 4-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]benzoate

Systemtic Name: ethyl 4-[(6-oxidanylidene-5H-benzo[b][1,4]benzothiazepin-3-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]benzoate CAS Name: 4-[[oxo-(6-oxo-5H-benzo[b][1,4]benzothiazepin-3-yl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-oxo-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]benzoate Traditional Name: 4-[(6-keto-5H-benzo[b][1,4]benzothiazepine-3-carbonyl)amino]benzoic acid ethyl ester Formula: C23H18N2O4S MolecularWeight: 418.46502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)SC4=CC=CC=C4C(=O)N3

InChI

InChI=1S/C23H18N2O4S/c1-2-29-23(28)14-7-10-16(11-8-14)24-21(26)15-9-12-20-18(13-15)25-22(27)17-5-3-4-6-19(17)30-20/h3-13H,2H2,1H3,(H,24,26)(H,25,27)