ethyl 4-[(4-chlorophenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[(4-chlorophenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(4-chlorophenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(4-chloroanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(4-chlorophenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(4-chlorophenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C13H15ClN2O3S MolecularWeight: 314.7878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O3S/c1-2-19-12(18)8-7-11(17)16-13(20)15-10-5-3-9(14)4-6-10/h3-6H,2,7-8H2,1H3,(H2,15,16,17,20)