ethyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-methylphenyl)sulfanylethanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 5-phenyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 5-phenyl-2-[[2-(p-tolylthio)acetyl]amino]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(=C1)C2=CC=CC=C2)NC(=O)CSC3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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