(phenylmethyl) 2-azanyl-5-oxidanylidene-4H-1,4-thiazepine-3-carboxylate

Systemtic Name: (phenylmethyl) 2-azanyl-5-oxidanylidene-4H-1,4-thiazepine-3-carboxylate Openeye Name: benzyl 2-amino-5-oxo-4H-1,4-thiazepine-3-carboxylate CAS Name: 2-amino-5-oxo-4H-1,4-thiazepine-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-amino-5-oxo-4H-1,4-thiazepine-3-carboxylate Traditional Name: 2-amino-5-keto-4H-1,4-thiazepine-3-carboxylic acid benzyl ester Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C2=C(SC=CC(=O)N2)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C2=C(SC=CC(=O)N2)N

InChI

InChI=1S/C13H12N2O3S/c14-12-11(15-10(16)6-7-19-12)13(17)18-8-9-4-2-1-3-5-9/h1-7H,8,14H2,(H,15,16)