methyl 5-phenyl-3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate

Systemtic Name: methyl 5-phenyl-3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate CAS Name: 3-[[1-oxo-3-(phenylthio)propyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-phenyl-3-(3-phenylsulfanylpropanoylamino)thiophene-2-carboxylate Traditional Name: 5-phenyl-3-[3-(phenylthio)propanoylamino]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)CCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CCSC3=CC=CC=C3

InChI

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