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

Systemtic Name: diethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[3-[(4-chlorophenyl)thio]propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H22ClNO5S2 MolecularWeight: 455.97538

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H22ClNO5S2/c1-4-26-19(24)16-12(3)17(20(25)27-5-2)29-18(16)22-15(23)10-11-28-14-8-6-13(21)7-9-14/h6-9H,4-5,10-11H2,1-3H3,(H,22,23)