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

Systemtic Name: diethyl 5-[2-(3-chlorophenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[2-(3-chlorophenyl)ethylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[2-(3-chlorophenyl)ethylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[2-(3-chlorophenyl)ethylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[2-(3-chlorophenyl)ethylthiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23ClN2O4S2 MolecularWeight: 454.99062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC(=CC=C2)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCCC2=CC(=CC=C2)Cl

InChI

InChI=1S/C20H23ClN2O4S2/c1-4-26-18(24)15-12(3)16(19(25)27-5-2)29-17(15)23-20(28)22-10-9-13-7-6-8-14(21)11-13/h6-8,11H,4-5,9-10H2,1-3H3,(H2,22,23,28)