methyl 6-chloranyl-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 6-chloranyl-2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-[2-(2-methoxy-5-methyl-anilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[2-(2-methoxy-5-methylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-4-keto-2-[[2-keto-2-(2-methoxy-5-methyl-anilino)ethyl]thio]-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H19ClN2O5S MolecularWeight: 446.90396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O5S/c1-11-4-7-16(28-2)15(8-11)23-17(25)10-30-20-18(21(27)29-3)19(26)13-9-12(22)5-6-14(13)24-20/h4-9H,10H2,1-3H3,(H,23,25)(H,24,26)