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

Systemtic Name: ethyl 3-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 5-phenyl-3-[4-(p-tolylsulfanyl)butanoylamino]thiophene-2-carboxylate CAS Name: 3-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[4-(p-tolylthio)butanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C24H25NO3S2 MolecularWeight: 439.5902

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSC3=CC=C(C=C3)C

InChI

InChI=1S/C24H25NO3S2/c1-3-28-24(27)23-20(16-21(30-23)18-8-5-4-6-9-18)25-22(26)10-7-15-29-19-13-11-17(2)12-14-19/h4-6,8-9,11-14,16H,3,7,10,15H2,1-2H3,(H,25,26)