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

Systemtic Name: propyl 4-[(5-chloranyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[(5-chloro-2-hydroxy-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(5-chloro-2-hydroxyanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[(5-chloro-2-hydroxyphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(5-chloro-2-hydroxy-phenyl)thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C14H17ClN2O4S MolecularWeight: 344.81378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4S/c1-2-7-21-13(20)6-5-12(19)17-14(22)16-10-8-9(15)3-4-11(10)18/h3-4,8,18H,2,5-7H2,1H3,(H2,16,17,19,22)