(E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-oxidanylidene-1-(2-thiophen-3-ylethanoyl)piperidin-3-yl]-3-oxidanylidene-prop-1-en-1-olate

Systemtic Name: (E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-oxidanylidene-1-(2-thiophen-3-ylethanoyl)piperidin-3-yl]-3-oxidanylidene-prop-1-en-1-olate Openeye Name: (E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-oxo-1-[2-(3-thienyl)acetyl]-3-piperidyl]-3-oxo-prop-1-en-1-olate CAS Name: (E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-oxo-1-[1-oxo-2-(3-thiophenyl)ethyl]-3-piperidinyl]-3-oxo-1-propen-1-olate IUPAC Name: (E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-oxo-1-(2-thiophen-3-ylacetyl)piperidin-3-yl]-3-oxoprop-1-en-1-olate Traditional Name: (E)-2-diazonio-1-ethoxy-3-[3-ethyl-2-keto-1-[2-(3-thienyl)acetyl]-3-piperidyl]-3-keto-prop-1-en-1-olate Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CCCN(C1=O)C(=O)CC2=CSC=C2)C(=O)C(=C([O-])OCC)[N+]#N

Isomeric SMILES

CCC1(CCCN(C1=O)C(=O)CC2=CSC=C2)C(=O)/C(=C(/[O-])\OCC)/[N+]#N

InChI

InChI=1S/C18H21N3O5S/c1-3-18(15(23)14(20-19)16(24)26-4-2)7-5-8-21(17(18)25)13(22)10-12-6-9-27-11-12/h6,9,11H,3-5,7-8,10H2,1-2H3