methyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[(3-chloranyl-4-methoxy-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(3-chloro-4-methoxy-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(3-chloro-4-methoxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(3-chloro-4-methoxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(3-chloro-4-methoxy-phenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC(=O)CCC(=O)OC)Cl

InChI

InChI=1S/C13H15ClN2O4S/c1-19-10-4-3-8(7-9(10)14)15-13(21)16-11(17)5-6-12(18)20-2/h3-4,7H,5-6H2,1-2H3,(H2,15,16,17,21)