ethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyano-6,8-dimethyl-indolizine-1-carboxylate

Systemtic Name: ethyl 2-[2-(4-chlorophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-cyano-6,8-dimethyl-indolizine-1-carboxylate Openeye Name: ethyl 2-[2-(4-chlorophenyl)-2-oxo-ethyl]sulfanyl-3-cyano-6,8-dimethyl-indolizine-1-carboxylate CAS Name: 2-[[2-(4-chlorophenyl)-2-oxoethyl]thio]-3-cyano-6,8-dimethyl-1-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-3-cyano-6,8-dimethylindolizine-1-carboxylate Traditional Name: 2-[[2-(4-chlorophenyl)-2-keto-ethyl]thio]-3-cyano-6,8-dimethyl-indolizine-1-carboxylic acid ethyl ester Formula: C22H19ClN2O3S MolecularWeight: 426.91586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=CC(=CN2C(=C1SCC(=O)C3=CC=C(C=C3)Cl)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C2C(=CC(=CN2C(=C1SCC(=O)C3=CC=C(C=C3)Cl)C#N)C)C

InChI

InChI=1S/C22H19ClN2O3S/c1-4-28-22(27)19-20-14(3)9-13(2)11-25(20)17(10-24)21(19)29-12-18(26)15-5-7-16(23)8-6-15/h5-9,11H,4,12H2,1-3H3