ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1-(3-methylbut-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-6-methyl-1-(3-methylbut-2-enylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C26H24BrNO3S2 MolecularWeight: 542.50766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrNO3S2/c1-5-31-25(30)20-19-14-16(4)10-12-28(19)22-21(20)24(33-26(22)32-13-11-15(2)3)23(29)17-6-8-18(27)9-7-17/h6-12,14H,5,13H2,1-4H3