(6-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl) ethanoate

Systemtic Name: (6-azanyl-5-oxidanylidene-3-phenyl-1,4-thiazepan-4-yl) ethanoate Openeye Name: (6-amino-5-oxo-3-phenyl-1,4-thiazepan-4-yl) acetate CAS Name: acetic acid (6-amino-5-oxo-3-phenyl-1,4-thiazepan-4-yl) ester IUPAC Name: (6-amino-5-oxo-3-phenyl-1,4-thiazepan-4-yl) acetate Traditional Name: acetic acid (6-amino-5-keto-3-phenyl-1,4-thiazepan-4-yl) ester Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C(CSCC(C1=O)N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)ON1C(CSCC(C1=O)N)C2=CC=CC=C2

InChI

InChI=1S/C13H16N2O3S/c1-9(16)18-15-12(10-5-3-2-4-6-10)8-19-7-11(14)13(15)17/h2-6,11-12H,7-8,14H2,1H3