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

Systemtic Name: methyl 4-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4S/c1-19-11(18)5-4-10(17)15-12(20)14-8-6-7(13)2-3-9(8)16/h2-3,6,16H,4-5H2,1H3,(H2,14,15,17,20)