methyl 6-chloranyl-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-2-[2-[(2,6-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-[2-(2,6-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-[2-(2,6-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-2-[[2-(2,6-dimethylanilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4S/c1-11-5-4-6-12(2)18(11)24-16(25)10-29-20-17(21(27)28-3)19(26)14-9-13(22)7-8-15(14)23-20/h4-9H,10H2,1-3H3,(H,23,26)(H,24,25)