methyl 4-oxidanylidene-4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-oxidanylidene-4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H17N3O5S MolecularWeight: 375.39898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

Isomeric SMILES

COC(=O)CCC(=O)NC(=S)NNC(=O)C1=CC2=CC=CC=C2C=C1O

InChI

InChI=1S/C17H17N3O5S/c1-25-15(23)7-6-14(22)18-17(26)20-19-16(24)12-8-10-4-2-3-5-11(10)9-13(12)21/h2-5,8-9,21H,6-7H2,1H3,(H,19,24)(H2,18,20,22,26)