methyl 3-[2-(4-methylphenyl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 3-[2-(4-methylphenyl)sulfanylethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: methyl 5-phenyl-3-[[2-(p-tolylsulfanyl)acetyl]amino]thiophene-2-carboxylate CAS Name: 3-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(4-methylphenyl)sulfanylacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 5-phenyl-3-[[2-(p-tolylthio)acetyl]amino]thiophene-2-carboxylic acid methyl ester Formula: C21H19NO3S2 MolecularWeight: 397.51046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(SC(=C2)C3=CC=CC=C3)C(=O)OC

InChI

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