methyl 2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H20N2O3S2 MolecularWeight: 448.5572

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C24H20N2O3S2/c1-15-12-21(25-19-11-7-6-10-17(15)19)30-14-20(27)26-23-22(24(28)29-2)18(13-31-23)16-8-4-3-5-9-16/h3-13H,14H2,1-2H3,(H,26,27)