ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-cyano-7-methyl-indolizine-3-carboxylate

Systemtic Name: ethyl 2-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1-cyano-7-methyl-indolizine-3-carboxylate Openeye Name: ethyl 2-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1-cyano-7-methyl-indolizine-3-carboxylate CAS Name: 2-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1-cyano-7-methyl-3-indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1-cyano-7-methylindolizine-3-carboxylate Traditional Name: 2-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1-cyano-7-methyl-indolizine-3-carboxylic acid ethyl ester Formula: C21H17BrN2O3S MolecularWeight: 457.34028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C)C#N)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C(=C2N1C=CC(=C2)C)C#N)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H17BrN2O3S/c1-3-27-21(26)19-20(16(11-23)17-10-13(2)8-9-24(17)19)28-12-18(25)14-4-6-15(22)7-5-14/h4-10H,3,12H2,1-2H3