ethyl (E)-4-oxidanylidene-4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[[(3-oxidanylnaphthalen-2-yl)carbonylamino]carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxo-but-2-enoate CAS Name: (E)-4-[[[[(3-hydroxy-2-naphthalenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxo-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[(3-hydroxynaphthalene-2-carbonyl)amino]carbamothioylamino]-4-oxobut-2-enoate Traditional Name: (E)-4-[[(3-hydroxy-2-naphthoyl)amino]thiocarbamoylamino]-4-keto-but-2-enoic acid ethyl ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S/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/h3-10,22H,2H2,1H3,(H,20,25)(H2,19,21,23,27)/b8-7+