diethyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2,4-dichlorophenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(2,4-dichlorobenzyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C19H20Cl2N2O4S2 MolecularWeight: 475.4091

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=S)NCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C19H20Cl2N2O4S2/c1-4-26-17(24)14-10(3)15(18(25)27-5-2)29-16(14)23-19(28)22-9-11-6-7-12(20)8-13(11)21/h6-8H,4-5,9H2,1-3H3,(H2,22,23,28)