ethyl (E,2Z)-2-(carbamothioylhydrazinylidene)-4-(5-nitrofuran-2-yl)but-3-enoate

Systemtic Name: ethyl (E,2Z)-2-(carbamothioylhydrazinylidene)-4-(5-nitrofuran-2-yl)but-3-enoate Openeye Name: ethyl (E,2Z)-2-(carbamothioylhydrazono)-4-(5-nitro-2-furyl)but-3-enoate CAS Name: (E,2Z)-2-(carbamothioylhydrazinylidene)-4-(5-nitro-2-furanyl)-3-butenoic acid ethyl ester IUPAC Name: ethyl (E,2Z)-2-(carbamothioylhydrazinylidene)-4-(5-nitrofuran-2-yl)but-3-enoate Traditional Name: (E,2Z)-4-(5-nitro-2-furyl)-2-(thiocarbamoylhydrazono)but-3-enoic acid ethyl ester Formula: C11H12N4O5S MolecularWeight: 312.30178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=NNC(=S)N)C=CC1=CC=C(O1)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)/C(=N\NC(=S)N)/C=C/C1=CC=C(O1)[N+](=O)[O-]

InChI

InChI=1S/C11H12N4O5S/c1-2-19-10(16)8(13-14-11(12)21)5-3-7-4-6-9(20-7)15(17)18/h3-6H,2H2,1H3,(H3,12,14,21)/b5-3+,13-8-