methyl 3-[2-(4-methylsulfanylphenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methylsulfanylphenyl)ethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 3-[[2-(4-methylsulfanylphenyl)acetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[4-(methylthio)phenyl]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylsulfanylphenyl)acetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-(methylthio)phenyl]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)CC3=CC=C(C=C3)SC

Isomeric SMILES

COC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H19NO3S2/c1-25-21(24)20-17(13-18(27-20)15-6-4-3-5-7-15)22-19(23)12-14-8-10-16(26-2)11-9-14/h3-11,13H,12H2,1-2H3,(H,22,23)