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

Systemtic Name: ethyl 4-oxidanylidene-4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]butanoate Openeye Name: ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H19N3O5S MolecularWeight: 389.42556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N3O5S/c1-2-26-16(24)8-7-15(23)19-18(27)21-20-17(25)13-9-11-5-3-4-6-12(11)10-14(13)22/h3-6,9-10,22H,2,7-8H2,1H3,(H,20,25)(H2,19,21,23,27)