2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-methoxycarbonyl-4-oxidanylidene-1H-quinoline-7-carboxylic acid

Systemtic Name: 2-[2-[(2,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-methoxycarbonyl-4-oxidanylidene-1H-quinoline-7-carboxylic acid Openeye Name: 2-[2-(2,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-3-methoxycarbonyl-4-oxo-1H-quinoline-7-carboxylic acid CAS Name: 2-[[2-(2,5-dimethylanilino)-2-oxoethyl]thio]-3-methoxycarbonyl-4-oxo-1H-quinoline-7-carboxylic acid IUPAC Name: 2-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-3-methoxycarbonyl-4-oxo-1H-quinoline-7-carboxylic acid Traditional Name: 3-carbomethoxy-2-[[2-(2,5-dimethylanilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-7-carboxylic acid Formula: C22H20N2O6S MolecularWeight: 440.469

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H20N2O6S/c1-11-4-5-12(2)15(8-11)23-17(25)10-31-20-18(22(29)30-3)19(26)14-7-6-13(21(27)28)9-16(14)24-20/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26)(H,27,28)