ethyl 1-cyano-6,8-dimethyl-2-phenacylsulfanyl-indolizine-3-carboxylate

Systemtic Name: ethyl 1-cyano-6,8-dimethyl-2-phenacylsulfanyl-indolizine-3-carboxylate Openeye Name: ethyl 1-cyano-6,8-dimethyl-2-phenacylsulfanyl-indolizine-3-carboxylate CAS Name: 1-cyano-6,8-dimethyl-2-(phenacylthio)-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyano-6,8-dimethyl-2-phenacylsulfanylindolizine-3-carboxylate Traditional Name: 1-cyano-6,8-dimethyl-2-(phenacylthio)indolizine-3-carboxylic acid ethyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-4-27-22(26)20-21(28-13-18(25)16-8-6-5-7-9-16)17(11-23)19-15(3)10-14(2)12-24(19)20/h5-10,12H,4,13H2,1-3H3