methyl 2-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 2-[2-[(2-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(2-chloro-4-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(2-chloro-4-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2-chloro-4-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(2-chloro-4-methyl-anilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)Cl

InChI

InChI=1S/C20H17ClN2O4S/c1-11-7-8-15(13(21)9-11)22-16(24)10-28-19-17(20(26)27-2)18(25)12-5-3-4-6-14(12)23-19/h3-9H,10H2,1-2H3,(H,22,24)(H,23,25)