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

Systemtic Name: diethyl 3-methyl-5-[2-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[2-(p-tolylsulfanyl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[2-[(4-methylphenyl)thio]-1-oxopropyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[2-(4-methylphenyl)sulfanylpropanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[2-(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)C(C)SC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C(C)SC2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO5S2/c1-6-26-20(24)16-13(4)17(21(25)27-7-2)29-19(16)22-18(23)14(5)28-15-10-8-12(3)9-11-15/h8-11,14H,6-7H2,1-5H3,(H,22,23)