3-methoxycarbonyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-7-carboxylic acid

Systemtic Name: 3-methoxycarbonyl-2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-7-carboxylic acid Openeye Name: 3-methoxycarbonyl-2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-7-carboxylic acid CAS Name: 3-methoxycarbonyl-2-[[2-(4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-7-carboxylic acid IUPAC Name: 3-methoxycarbonyl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-7-carboxylic acid Traditional Name: 3-carbomethoxy-4-keto-2-[[2-keto-2-(p-toluidino)ethyl]thio]-1H-quinoline-7-carboxylic acid Formula: C21H18N2O6S MolecularWeight: 426.44242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=C(C=C3)C(=O)O)C(=O)OC

InChI

InChI=1S/C21H18N2O6S/c1-11-3-6-13(7-4-11)22-16(24)10-30-19-17(21(28)29-2)18(25)14-8-5-12(20(26)27)9-15(14)23-19/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)(H,26,27)