methyl 5-phenyl-3-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-(4-benzylsulfanylbutanoylamino)-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-4-(phenylmethylthio)butyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-(4-benzylsulfanylbutanoylamino)-5-phenylthiophene-2-carboxylate Traditional Name: 3-[4-(benzylthio)butanoylamino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C23H23NO3S2 MolecularWeight: 425.56362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCCSCC3=CC=CC=C3

InChI

InChI=1S/C23H23NO3S2/c1-27-23(26)22-19(15-20(29-22)18-11-6-3-7-12-18)24-21(25)13-8-14-28-16-17-9-4-2-5-10-17/h2-7,9-12,15H,8,13-14,16H2,1H3,(H,24,25)