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

Systemtic Name: methyl 3-[3-(4-methylphenyl)sulfanylpropanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[3-(4-methylphenyl)sulfanylpropanoylamino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[3-(p-tolylthio)propanoylamino]thiophene-2-carboxylic acid methyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO3S2/c1-15-8-10-17(11-9-15)27-13-12-20(24)23-18-14-19(16-6-4-3-5-7-16)28-21(18)22(25)26-2/h3-11,14H,12-13H2,1-2H3,(H,23,24)