ethyl 4-[(2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate

Systemtic Name: ethyl 4-[(2-methyl-4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate Openeye Name: ethyl 4-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate CAS Name: 4-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoate Traditional Name: 4-[(4-keto-2-methyl-3,5-dihydro-2H-1,5-benzothiazepin-7-yl)sulfonylamino]benzoic acid ethyl ester Formula: C19H20N2O5S2 MolecularWeight: 420.5025

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC3=C(C=C2)SC(CC(=O)N3)C

InChI

InChI=1S/C19H20N2O5S2/c1-3-26-19(23)13-4-6-14(7-5-13)21-28(24,25)15-8-9-17-16(11-15)20-18(22)10-12(2)27-17/h4-9,11-12,21H,3,10H2,1-2H3,(H,20,22)