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

Systemtic Name: ethyl 1-[(4-bromophenyl)methylsulfanyl]-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(4-bromophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[(4-bromophenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(4-bromophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[(4-bromobenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C27H20BrNO3S2 MolecularWeight: 550.4866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)Br

InChI

InChI=1S/C27H20BrNO3S2/c1-2-32-26(31)21-20-10-6-7-15-29(20)23-22(21)25(24(30)18-8-4-3-5-9-18)34-27(23)33-16-17-11-13-19(28)14-12-17/h3-15H,2,16H2,1H3