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

Systemtic Name: diethyl 3-methyl-5-[4-(4-methylphenyl)sulfanylbutanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[4-(p-tolylsulfanyl)butanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[4-[(4-methylphenyl)thio]-1-oxobutyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[4-(4-methylphenyl)sulfanylbutanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[4-(p-tolylthio)butanoylamino]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H27NO5S2 MolecularWeight: 449.58348

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=C(C=C2)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSC2=CC=C(C=C2)C

InChI

InChI=1S/C22H27NO5S2/c1-5-27-21(25)18-15(4)19(22(26)28-6-2)30-20(18)23-17(24)8-7-13-29-16-11-9-14(3)10-12-16/h9-12H,5-8,13H2,1-4H3,(H,23,24)