ethyl 4-(4-methylphenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 4-(4-methylphenyl)-2-(2-phenylsulfanylethanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-phenylsulfanylacetyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-(phenylthio)ethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-methylphenyl)-2-[(2-phenylsulfanylacetyl)amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(phenylthio)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S2/c1-3-26-22(25)20-18(16-11-9-15(2)10-12-16)13-28-21(20)23-19(24)14-27-17-7-5-4-6-8-17/h4-13H,3,14H2,1-2H3,(H,23,24)