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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-prop-2-enylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-allylsulfanyl-3-(4-bromobenzoyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(prop-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-prop-2-enylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(allylthio)-3-(4-bromobenzoyl)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H18BrNO3S2 MolecularWeight: 500.42792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrNO3S2/c1-3-13-29-23-19-18(21(30-23)20(26)14-8-10-15(24)11-9-14)17(22(27)28-4-2)16-7-5-6-12-25(16)19/h3,5-12H,1,4,13H2,2H3