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

Systemtic Name: ethyl 4-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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