diethyl 3-methyl-5-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[4-(phenylmethylsulfanyl)butanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-(4-benzylsulfanylbutanoylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-4-(phenylmethylthio)butyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-(4-benzylsulfanylbutanoylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[4-(benzylthio)butanoylamino]-3-methyl-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)CCCSCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCCSCC2=CC=CC=C2

InChI

InChI=1S/C22H27NO5S2/c1-4-27-21(25)18-15(3)19(22(26)28-5-2)30-20(18)23-17(24)12-9-13-29-14-16-10-7-6-8-11-16/h6-8,10-11H,4-5,9,12-14H2,1-3H3,(H,23,24)