methyl 4-[[(2-hydroxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[(2-hydroxyphenyl)carbonylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[(2-hydroxybenzoyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(2-hydroxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(2-hydroxybenzoyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[(salicyloylamino)thiocarbamoylamino]butyric acid methyl ester Formula: C13H15N3O5S MolecularWeight: 325.3403

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1O

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C13H15N3O5S/c1-21-11(19)7-6-10(18)14-13(22)16-15-12(20)8-4-2-3-5-9(8)17/h2-5,17H,6-7H2,1H3,(H,15,20)(H2,14,16,18,22)