methyl 9b-methylsulfanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate

Systemtic Name: methyl 9b-methylsulfanyl-2-oxidanylidene-1-(2-phenoxyethanoylamino)-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Openeye Name: methyl 9b-methylsulfanyl-2-oxo-1-[(2-phenoxyacetyl)amino]-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate CAS Name: 9b-(methylthio)-2-oxo-1-[(1-oxo-2-phenoxyethyl)amino]-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 9b-methylsulfanyl-2-oxo-1-[(2-phenoxyacetyl)amino]-4,5-dihydro-1H-azeto[2,1-a]isoquinoline-4-carboxylate Traditional Name: 2-keto-9b-(methylthio)-1-[(2-phenoxyacetyl)amino]-4,5-dihydro-1H-azet[2,1-a]isoquinoline-4-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3NC(=O)COC4=CC=CC=C4)SC

Isomeric SMILES

COC(=O)C1CC2=CC=CC=C2C3(N1C(=O)C3NC(=O)COC4=CC=CC=C4)SC

InChI

InChI=1S/C22H22N2O5S/c1-28-21(27)17-12-14-8-6-7-11-16(14)22(30-2)19(20(26)24(17)22)23-18(25)13-29-15-9-4-3-5-10-15/h3-11,17,19H,12-13H2,1-2H3,(H,23,25)