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

Systemtic Name: methyl 5-phenyl-3-[2-(phenylmethylsulfanyl)ethanoylamino]thiophene-2-carboxylate Openeye Name: methyl 3-[(2-benzylsulfanylacetyl)amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[1-oxo-2-(phenylmethylthio)ethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[(2-benzylsulfanylacetyl)amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-(benzylthio)acetyl]amino]-5-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H19NO3S2/c1-25-21(24)20-17(12-18(27-20)16-10-6-3-7-11-16)22-19(23)14-26-13-15-8-4-2-5-9-15/h2-12H,13-14H2,1H3,(H,22,23)