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

Systemtic Name: dimethyl 5-[(3,4-dichlorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[(3,4-dichlorophenyl)methylcarbamothioylamino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[[(3,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(3,4-dichlorophenyl)methylcarbamothioylamino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(3,4-dichlorobenzyl)thiocarbamoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H16Cl2N2O4S2 MolecularWeight: 447.35594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NCC2=CC(=C(C=C2)Cl)Cl)C(=O)OC

InChI

InChI=1S/C17H16Cl2N2O4S2/c1-8-12(15(22)24-2)14(27-13(8)16(23)25-3)21-17(26)20-7-9-4-5-10(18)11(19)6-9/h4-6H,7H2,1-3H3,(H2,20,21,26)