[(3-phenyl-2-sulfanyl-propanoyl)amino]methyl 2-(7-oxidanylidene-2H-azepin-1-yl)ethanoate

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino]methyl 2-(7-oxidanylidene-2H-azepin-1-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino]methyl 2-(7-oxo-2H-azepin-1-yl)acetate CAS Name: 2-(7-oxo-2H-azepin-1-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino]methyl ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino]methyl 2-(7-oxo-2H-azepin-1-yl)acetate Traditional Name: 2-(7-keto-2H-azepin-1-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino]methyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC=CC(=O)N1CC(=O)OCNC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C1C=CC=CC(=O)N1CC(=O)OCNC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C18H20N2O4S/c21-16-9-5-2-6-10-20(16)12-17(22)24-13-19-18(23)15(25)11-14-7-3-1-4-8-14/h1-9,15,25H,10-13H2,(H,19,23)