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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-6-methyl-1-[(2-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-(o-tolylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-6-methyl-1-[(2-methylphenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-6-methyl-1-[(2-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-6-methyl-1-[(2-methylbenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H24BrNO3S2 MolecularWeight: 578.53976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC5=CC=CC=C5C)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCC5=CC=CC=C5C)C

InChI

InChI=1S/C29H24BrNO3S2/c1-4-34-28(33)23-22-15-17(2)13-14-31(22)25-24(23)27(26(32)19-9-11-21(30)12-10-19)36-29(25)35-16-20-8-6-5-7-18(20)3/h5-15H,4,16H2,1-3H3