ethyl 1-cyano-6,8-dimethyl-2-(2-oxidanylidenepropylsulfanyl)indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-6,8-dimethyl-2-(2-oxidanylidenepropylsulfanyl)indolizine-3-carboxylate Openeye Name: ethyl 2-acetonylsulfanyl-1-cyano-6,8-dimethyl-indolizine-3-carboxylate CAS Name: 1-cyano-6,8-dimethyl-2-(2-oxopropylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-6,8-dimethyl-2-(2-oxopropylsulfanyl)indolizine-3-carboxylate Traditional Name: 2-(acetonylthio)-1-cyano-6,8-dimethyl-indolizine-3-carboxylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC(=O)C

InChI

InChI=1S/C17H18N2O3S/c1-5-22-17(21)15-16(23-9-12(4)20)13(7-18)14-11(3)6-10(2)8-19(14)15/h6,8H,5,9H2,1-4H3