6-oxidanylidene-10-[(3-phenyl-2-sulfanyl-propanoyl)amino]-4H-pyrido[1,2-a]azepine-4-carboxylic acid

Systemtic Name: 6-oxidanylidene-10-[(3-phenyl-2-sulfanyl-propanoyl)amino]-4H-pyrido[1,2-a]azepine-4-carboxylic acid Openeye Name: 6-oxo-10-[(3-phenyl-2-sulfanyl-propanoyl)amino]-4H-pyrido[1,2-a]azepine-4-carboxylic acid CAS Name: 10-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-6-oxo-4H-pyrido[1,2-a]azepine-4-carboxylic acid IUPAC Name: 6-oxo-10-[(3-phenyl-2-sulfanylpropanoyl)amino]-4H-pyrido[1,2-a]azepine-4-carboxylic acid Traditional Name: 6-keto-10-[(2-mercapto-3-phenyl-propanoyl)amino]-4H-pyrid[1,2-a]azepine-4-carboxylic acid Formula: C20H18N2O4S MolecularWeight: 382.43292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=O)N3C2=CC=CC3C(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=O)N3C2=CC=CC3C(=O)O)S

InChI

InChI=1S/C20H18N2O4S/c23-18-11-4-8-14(15-9-5-10-16(20(25)26)22(15)18)21-19(24)17(27)12-13-6-2-1-3-7-13/h1-11,16-17,27H,12H2,(H,21,24)(H,25,26)