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

Systemtic Name: methyl 5-methyl-2-[2-(4-methylphenyl)sulfanylethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-4-phenyl-2-[[2-(p-tolylsulfanyl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[2-[(4-methylphenyl)thio]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-[[2-(p-tolylthio)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C22H21NO3S2 MolecularWeight: 411.53704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H21NO3S2/c1-14-9-11-17(12-10-14)27-13-18(24)23-21-20(22(25)26-3)19(15(2)28-21)16-7-5-4-6-8-16/h4-12H,13H2,1-3H3,(H,23,24)