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

Systemtic Name: methyl 6-chloranyl-2-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 6-chloro-2-[2-(3,5-dimethylanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 6-chloro-2-[[2-(3,5-dimethylanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 6-chloro-2-[2-(3,5-dimethylanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 6-chloro-2-[[2-(3,5-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(=CC(=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)OC)C

Isomeric SMILES

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

InChI

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