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

Systemtic Name: methyl 2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-4-oxidanylidene-1H-quinoline-3-carboxylate Openeye Name: methyl 2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate CAS Name: 2-[[2-(4-ethoxyanilino)-2-oxoethyl]thio]-6-methyl-4-oxo-1H-quinoline-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl-6-methyl-4-oxo-1H-quinoline-3-carboxylate Traditional Name: 4-keto-2-[[2-keto-2-(p-phenetidino)ethyl]thio]-6-methyl-1H-quinoline-3-carboxylic acid methyl ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)C)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CSC2=C(C(=O)C3=C(N2)C=CC(=C3)C)C(=O)OC

InChI

InChI=1S/C22H22N2O5S/c1-4-29-15-8-6-14(7-9-15)23-18(25)12-30-21-19(22(27)28-3)20(26)16-11-13(2)5-10-17(16)24-21/h5-11H,4,12H2,1-3H3,(H,23,25)(H,24,26)