(2-azanyl-2-oxidanylidene-ethyl) 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 4-oxidanylidene-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate Openeye Name: (2-amino-2-oxo-ethyl) 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 (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 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 (2-amino-2-keto-ethyl) ester Formula: C12H12N2O4S MolecularWeight: 280.29968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4S/c13-10(15)6-18-12(17)7-1-2-9-8(5-7)14-11(16)3-4-19-9/h1-2,5H,3-4,6H2,(H2,13,15)(H,14,16)