methyl 7-chloranyl-2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate

Systemtic Name: methyl 7-chloranyl-2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 7-chloro-2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 7-chloro-2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 7-chloro-2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 7-chloro-2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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