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

Systemtic Name: 1-(5-methylsulfanyl-2-nitro-phenyl)carbonyl-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(5-methylsulfanyl-2-nitro-benzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[[5-(methylthio)-2-nitrophenyl]-oxomethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(5-methylsulfanyl-2-nitrobenzoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[5-(methylthio)-2-nitro-benzoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C18H16N2O5S MolecularWeight: 372.39504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O5S/c1-26-11-7-8-16(20(24)25)14(10-11)17(21)19-9-3-5-12-13(18(22)23)4-2-6-15(12)19/h2,4,6-8,10H,3,5,9H2,1H3,(H,22,23)