[6-oxidanylidene-10-[(3-phenyl-2-sulfanyl-propanoyl)amino]-4H-pyrido[1,2-a]azepin-4-yl] hydrogen carbonate

Systemtic Name: [6-oxidanylidene-10-[(3-phenyl-2-sulfanyl-propanoyl)amino]-4H-pyrido[1,2-a]azepin-4-yl] hydrogen carbonate Openeye Name: [6-oxo-10-[(3-phenyl-2-sulfanyl-propanoyl)amino]-4H-pyrido[1,2-a]azepin-4-yl] hydrogen carbonate CAS Name: carbonic acid [10-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-6-oxo-4H-pyrido[1,2-a]azepin-4-yl] ester IUPAC Name: [6-oxo-10-[(3-phenyl-2-sulfanylpropanoyl)amino]-4H-pyrido[1,2-a]azepin-4-yl] hydrogen carbonate Traditional Name: carbonic acid [6-keto-10-[(2-mercapto-3-phenyl-propanoyl)amino]-4H-pyrid[1,2-a]azepin-4-yl] ester Formula: C20H18N2O5S MolecularWeight: 398.43232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=O)N3C2=CC=CC3OC(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)NC2=CC=CC(=O)N3C2=CC=CC3OC(=O)O)S

InChI

InChI=1S/C20H18N2O5S/c23-17-10-4-8-14(15-9-5-11-18(22(15)17)27-20(25)26)21-19(24)16(28)12-13-6-2-1-3-7-13/h1-11,16,18,28H,12H2,(H,21,24)(H,25,26)