1-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[4-(2-methylpropylsulfanyl)-3-nitro-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(4-isobutylsulfanyl-3-nitro-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-(2-methylpropylthio)-3-nitrophenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(2-methylpropylsulfanyl)-3-nitrobenzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(isobutylthio)-3-nitro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=C(C=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CSC1=C(C=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O5S/c1-13(2)12-29-19-9-8-14(11-18(19)23(27)28)20(24)22-10-4-6-15-16(21(25)26)5-3-7-17(15)22/h3,5,7-9,11,13H,4,6,10,12H2,1-2H3,(H,25,26)