methyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[(2,4-dichlorophenyl)methylamino]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2,4-dichlorophenyl)methylcarbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,4-dichlorobenzyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H14Cl2N2O3S MolecularWeight: 349.23286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NCC1=C(C=C(C=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NCC1=C(C=C(C=C1)Cl)Cl

InChI

InChI=1S/C13H14Cl2N2O3S/c1-20-12(19)5-4-11(18)17-13(21)16-7-8-2-3-9(14)6-10(8)15/h2-3,6H,4-5,7H2,1H3,(H2,16,17,18,21)