ethyl 1-cyano-2-(2-oxidanylidenepropylsulfanyl)indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-2-(2-oxidanylidenepropylsulfanyl)indolizine-3-carboxylate Openeye Name: ethyl 2-acetonylsulfanyl-1-cyano-indolizine-3-carboxylate CAS Name: 1-cyano-2-(2-oxopropylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-2-(2-oxopropylsulfanyl)indolizine-3-carboxylate Traditional Name: 2-(acetonylthio)-1-cyano-indolizine-3-carboxylic acid ethyl ester Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3S/c1-3-20-15(19)13-14(21-9-10(2)18)11(8-16)12-6-4-5-7-17(12)13/h4-7H,3,9H2,1-2H3