methyl 1-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate

Systemtic Name: methyl 1-(4-methylsulfanyl-3-nitro-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylate Openeye Name: methyl 1-(4-methylsulfanyl-3-nitro-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylate CAS Name: 1-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylsulfanyl-3-nitrobenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylate Traditional Name: 1-[4-(methylthio)-3-nitro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid methyl ester Formula: C19H18N2O5S MolecularWeight: 386.42162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C2CCCN(C2=CC=C1)C(=O)C3=CC(=C(C=C3)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5S/c1-26-19(23)14-5-3-7-15-13(14)6-4-10-20(15)18(22)12-8-9-17(27-2)16(11-12)21(24)25/h3,5,7-9,11H,4,6,10H2,1-2H3