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

Systemtic Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(7-oxidanylidene-2-prop-2-enyl-2H-azepin-1-yl)ethanoate Openeye Name: [(3-phenyl-2-sulfanyl-propanoyl)amino] 2-(2-allyl-7-oxo-2H-azepin-1-yl)acetate CAS Name: 2-(7-oxo-2-prop-2-enyl-2H-azepin-1-yl)acetic acid [(2-mercapto-1-oxo-3-phenylpropyl)amino] ester IUPAC Name: [(3-phenyl-2-sulfanylpropanoyl)amino] 2-(7-oxo-2-prop-2-enyl-2H-azepin-1-yl)acetate Traditional Name: 2-(2-allyl-7-keto-2H-azepin-1-yl)acetic acid [(2-mercapto-3-phenyl-propanoyl)amino] ester Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1C=CC=CC(=O)N1CC(=O)ONC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C=CCC1C=CC=CC(=O)N1CC(=O)ONC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C20H22N2O4S/c1-2-8-16-11-6-7-12-18(23)22(16)14-19(24)26-21-20(25)17(27)13-15-9-4-3-5-10-15/h2-7,9-12,16-17,27H,1,8,13-14H2,(H,21,25)