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

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-cyano-6,8-dimethyl-indolizine-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1-cyano-6,8-dimethyl-indolizine-3-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1-cyano-6,8-dimethyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-cyano-6,8-dimethylindolizine-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1-cyano-6,8-dimethyl-indolizine-3-carboxylic acid ethyl ester Formula: C22H19BrN2O3S MolecularWeight: 471.36686

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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=C(C=C3)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H19BrN2O3S/c1-4-28-22(27)20-21(29-12-18(26)15-5-7-16(23)8-6-15)17(10-24)19-14(3)9-13(2)11-25(19)20/h5-9,11H,4,12H2,1-3H3