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

Systemtic Name: 1-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(4-isopentylsulfanyl-3-nitro-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[4-(3-methylbutylthio)-3-nitrophenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(3-methylbutylsulfanyl)-3-nitrobenzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(isoamylthio)-3-nitro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCCC3=C(C=CC=C32)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5S/c1-14(2)10-12-30-20-9-8-15(13-19(20)24(28)29)21(25)23-11-4-6-16-17(22(26)27)5-3-7-18(16)23/h3,5,7-9,13-14H,4,6,10-12H2,1-2H3,(H,26,27)