methyl 4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[2,5-bis(chloranyl)phenyl]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2,5-dichlorophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2,5-dichloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2,5-dichlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2,5-dichlorophenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H12Cl2N2O3S MolecularWeight: 335.20628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)Cl)Cl

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C12H12Cl2N2O3S/c1-19-11(18)5-4-10(17)16-12(20)15-9-6-7(13)2-3-8(9)14/h2-3,6H,4-5H2,1H3,(H2,15,16,17,20)