ethyl 3-methyl-4-(methylcarbamoyl)-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2-carboxylate CAS Name: 3-methyl-4-(methylcarbamoyl)-5-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-(methylcarbamoyl)-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2-carboxylate Traditional Name: 3-methyl-4-(methylcarbamoyl)-5-[3-(p-tolylthio)propanoylamino]thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O4S2 MolecularWeight: 420.54556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)C)C(=O)NC)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCSC2=CC=C(C=C2)C)C(=O)NC)C

InChI

InChI=1S/C20H24N2O4S2/c1-5-26-20(25)17-13(3)16(18(24)21-4)19(28-17)22-15(23)10-11-27-14-8-6-12(2)7-9-14/h6-9H,5,10-11H2,1-4H3,(H,21,24)(H,22,23)