diethyl 5-[2-(4-acetamidophenyl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(4-acetamidophenyl)sulfanylethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(4-acetamidophenyl)thio]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(4-acetamidophenyl)sulfanylacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-[(4-acetamidophenyl)thio]acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CSC2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C21H24N2O6S2/c1-5-28-20(26)17-12(3)18(21(27)29-6-2)31-19(17)23-16(25)11-30-15-9-7-14(8-10-15)22-13(4)24/h7-10H,5-6,11H2,1-4H3,(H,22,24)(H,23,25)