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

Systemtic Name: methyl 2-[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3,4-dimethoxyanilino)-2-oxo-ethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyanilino)-2-oxoethyl]thio]-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(3,4-dimethoxyanilino)-2-keto-ethyl]thio]-4-keto-1H-quinoline-3-carboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=C(C(=O)C3=CC=CC=C3N2)C(=O)OC)OC

InChI

InChI=1S/C21H20N2O6S/c1-27-15-9-8-12(10-16(15)28-2)22-17(24)11-30-20-18(21(26)29-3)19(25)13-6-4-5-7-14(13)23-20/h4-10H,11H2,1-3H3,(H,22,24)(H,23,25)