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

Systemtic Name: methyl 2-[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(3-ethylanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(3-ethylanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(3-ethylanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 2-[[2-(3-ethylanilino)-2-keto-ethyl]thio]-4-keto-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)C)C(=O)OC

InChI

InChI=1S/C22H22N2O4S/c1-4-14-6-5-7-15(11-14)23-18(25)12-29-21-19(22(27)28-3)20(26)16-10-13(2)8-9-17(16)24-21/h5-11H,4,12H2,1-3H3,(H,23,25)(H,24,26)