ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-5,7-dimethyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-5,7-dimethyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-5,7-dimethyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 1-[(4-bromophenyl)methylthio]-3-cyano-5,7-dimethyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-cyano-5,7-dimethylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-[(4-bromobenzyl)thio]-3-cyano-5,7-dimethyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H19BrN2O2S2 MolecularWeight: 499.44316

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H19BrN2O2S2/c1-4-28-22(27)19-18-17(10-25)30-23(29-12-15-5-7-16(24)8-6-15)21(18)26-11-13(2)9-14(3)20(19)26/h5-9,11H,4,12H2,1-3H3