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

Systemtic Name: methyl 3-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 3-[4-(4-methylphenyl)sulfanylbutanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[4-(p-tolylthio)butanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C23H23NO3S2 MolecularWeight: 425.56362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCCCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C23H23NO3S2/c1-16-10-12-18(13-11-16)28-14-6-9-21(25)24-19-15-20(17-7-4-3-5-8-17)29-22(19)23(26)27-2/h3-5,7-8,10-13,15H,6,9,14H2,1-2H3,(H,24,25)