diethyl 3-methyl-5-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[2-(4-propan-2-ylsulfanylphenyl)ethanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-isopropylsulfanylphenyl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-2-[4-(propan-2-ylthio)phenyl]ethyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[[2-(4-propan-2-ylsulfanylphenyl)acetyl]amino]thiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[4-(isopropylthio)phenyl]acetyl]amino]-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)CC2=CC=C(C=C2)SC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CC2=CC=C(C=C2)SC(C)C

InChI

InChI=1S/C22H27NO5S2/c1-6-27-21(25)18-14(5)19(22(26)28-7-2)30-20(18)23-17(24)12-15-8-10-16(11-9-15)29-13(3)4/h8-11,13H,6-7,12H2,1-5H3,(H,23,24)