(4-cyanophenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (4-cyanophenyl)methyl 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-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 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-cyanobenzyl) ester Formula: C18H14N2O3S MolecularWeight: 338.38036

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC3=CC=C(C=C3)C#N)NC1=O

InChI

InChI=1S/C18H14N2O3S/c19-10-12-1-3-13(4-2-12)11-23-18(22)14-5-6-16-15(9-14)20-17(21)7-8-24-16/h1-6,9H,7-8,11H2,(H,20,21)