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

Systemtic Name: methyl 2-[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-chloro-2-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(3-chloro-2-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=C(C=CC=C1Cl)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC

InChI

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