methyl 5-phenyl-3-[3-(phenylmethylsulfanyl)propanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-[3-(phenylmethylsulfanyl)propanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-(3-benzylsulfanylpropanoylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(phenylmethylthio)propyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(3-benzylsulfanylpropanoylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-[3-(benzylthio)propanoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCSCC3=CC=CC=C3

InChI

InChI=1S/C22H21NO3S2/c1-26-22(25)21-18(14-19(28-21)17-10-6-3-7-11-17)23-20(24)12-13-27-15-16-8-4-2-5-9-16/h2-11,14H,12-13,15H2,1H3,(H,23,24)