ethyl 1-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethylsulfanyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-[(E)-2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl]-2-ethylsulfanyl-indolizine-3-carboxylate Openeye Name: ethyl 1-[(E)-2-cyano-3-ethoxy-3-oxo-prop-1-enyl]-2-ethylsulfanyl-indolizine-3-carboxylate CAS Name: 1-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-(ethylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(E)-2-cyano-3-ethoxy-3-oxoprop-1-enyl]-2-ethylsulfanylindolizine-3-carboxylate Traditional Name: 1-[(E)-2-cyano-3-ethoxy-3-keto-prop-1-enyl]-2-(ethylthio)indolizine-3-carboxylic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC=C2)C=C(C#N)C(=O)OCC)SCC

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC=C2)/C=C(\C#N)/C(=O)OCC)SCC

InChI

InChI=1S/C19H20N2O4S/c1-4-24-18(22)13(12-20)11-14-15-9-7-8-10-21(15)16(17(14)26-6-3)19(23)25-5-2/h7-11H,4-6H2,1-3H3/b13-11+