ethyl 1-cyano-7-methyl-2-(2-oxidanylidenepropylsulfanyl)indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-7-methyl-2-(2-oxidanylidenepropylsulfanyl)indolizine-3-carboxylate Openeye Name: ethyl 2-acetonylsulfanyl-1-cyano-7-methyl-indolizine-3-carboxylate CAS Name: 1-cyano-7-methyl-2-(2-oxopropylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-7-methyl-2-(2-oxopropylsulfanyl)indolizine-3-carboxylate Traditional Name: 2-(acetonylthio)-1-cyano-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C16H16N2O3S MolecularWeight: 316.37484

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O3S/c1-4-21-16(20)14-15(22-9-11(3)19)12(8-17)13-7-10(2)5-6-18(13)14/h5-7H,4,9H2,1-3H3