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

Systemtic Name: methyl 4-[(5-methyl-2-oxidanyl-phenyl)carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[(2-hydroxy-5-methyl-phenyl)carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[(2-hydroxy-5-methylanilino)-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[(2-hydroxy-5-methylphenyl)carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[(2-hydroxy-5-methyl-phenyl)thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)O)NC(=S)NC(=O)CCC(=O)OC

InChI

InChI=1S/C13H16N2O4S/c1-8-3-4-10(16)9(7-8)14-13(20)15-11(17)5-6-12(18)19-2/h3-4,7,16H,5-6H2,1-2H3,(H2,14,15,17,20)