cyanomethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: cyanomethyl 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: cyanomethyl 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 cyanomethyl ester IUPAC Name: cyanomethyl 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 cyanomethyl ester Formula: C12H10N2O3S MolecularWeight: 262.2844

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C(C=C(C=C2)C(=O)OCC#N)NC1=O

Isomeric SMILES

C1CSC2=C(C=C(C=C2)C(=O)OCC#N)NC1=O

InChI

InChI=1S/C12H10N2O3S/c13-4-5-17-12(16)8-1-2-10-9(7-8)14-11(15)3-6-18-10/h1-2,7H,3,5-6H2,(H,14,15)