ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methylthio]-3-cyano-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyanothieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-[(4-bromobenzyl)thio]-3-cyano-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H15BrN2O2S2 MolecularWeight: 471.39

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C#N)SCC4=CC=C(C=C4)Br

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C#N)SCC4=CC=C(C=C4)Br

InChI

InChI=1S/C21H15BrN2O2S2/c1-2-26-20(25)17-15-5-3-4-10-24(15)19-18(17)16(11-23)28-21(19)27-12-13-6-8-14(22)9-7-13/h3-10H,2,12H2,1H3