diethyl 3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(p-tolylsulfanyl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[3-[(4-methylphenyl)thio]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[3-(p-tolylthio)propanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H25NO5S2 MolecularWeight: 435.5569

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO5S2/c1-5-26-20(24)17-14(4)18(21(25)27-6-2)29-19(17)22-16(23)11-12-28-15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3,(H,22,23)