ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methylthio]-3-cyano-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-[(4-bromobenzyl)thio]-3-cyano-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C22H17BrN2O2S2 MolecularWeight: 485.41658

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17BrN2O2S2/c1-3-27-21(26)18-16-10-13(2)8-9-25(16)20-19(18)17(11-24)29-22(20)28-12-14-4-6-15(23)7-5-14/h4-10H,3,12H2,1-2H3