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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-(2-methylprop-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-(2-methylallylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1-(2-methylprop-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-(2-methylprop-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-6-methyl-1-(2-methylallylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C25H22BrNO3S2 MolecularWeight: 528.48108

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H22BrNO3S2/c1-5-30-24(29)19-18-12-15(4)10-11-27(18)21-20(19)23(32-25(21)31-13-14(2)3)22(28)16-6-8-17(26)9-7-16/h6-12H,2,5,13H2,1,3-4H3