diethyl 2-(2-cyanoethylsulfanyl)-7-methyl-indolizine-1,3-dicarboxylate

Systemtic Name: diethyl 2-(2-cyanoethylsulfanyl)-7-methyl-indolizine-1,3-dicarboxylate Openeye Name: diethyl 2-(2-cyanoethylsulfanyl)-7-methyl-indolizine-1,3-dicarboxylate CAS Name: 2-(2-cyanoethylthio)-7-methylindolizine-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2-cyanoethylsulfanyl)-7-methylindolizine-1,3-dicarboxylate Traditional Name: 2-(2-cyanoethylthio)-7-methyl-indolizine-1,3-dicarboxylic acid diethyl ester Formula: C18H20N2O4S MolecularWeight: 360.4274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C(=C1SCCC#N)C(=O)OCC)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C(=C1SCCC#N)C(=O)OCC)C

InChI

InChI=1S/C18H20N2O4S/c1-4-23-17(21)14-13-11-12(3)7-9-20(13)15(18(22)24-5-2)16(14)25-10-6-8-19/h7,9,11H,4-6,10H2,1-3H3