ethyl (E)-4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]but-2-enoate

Systemtic Name: ethyl (E)-4-oxidanylidene-4-[(2-phenylethanoylamino)carbamothioylamino]but-2-enoate Openeye Name: ethyl (E)-4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]but-2-enoate CAS Name: (E)-4-oxo-4-[[[(1-oxo-2-phenylethyl)hydrazo]-sulfanylidenemethyl]amino]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-oxo-4-[[(2-phenylacetyl)amino]carbamothioylamino]but-2-enoate Traditional Name: (E)-4-keto-4-[[(2-phenylacetyl)amino]thiocarbamoylamino]but-2-enoic acid ethyl ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(=O)NC(=S)NNC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C15H17N3O4S/c1-2-22-14(21)9-8-12(19)16-15(23)18-17-13(20)10-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3,(H,17,20)(H2,16,18,19,23)/b9-8+