ethyl 3-(4-bromophenyl)carbonyl-1-cyclohex-2-en-1-ylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-cyclohex-2-en-1-ylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-cyclohex-2-en-1-ylsulfanyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(1-cyclohex-2-enylthio)-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-cyclohex-2-en-1-ylsulfanyl-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(cyclohex-2-en-1-ylthio)-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C27H24BrNO3S2 MolecularWeight: 554.51836

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)SC5CCCC=C5)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SC5CCCC=C5)C

InChI

InChI=1S/C27H24BrNO3S2/c1-3-32-26(31)21-20-15-16(2)13-14-29(20)23-22(21)25(24(30)17-9-11-18(28)12-10-17)34-27(23)33-19-7-5-4-6-8-19/h5,7,9-15,19H,3-4,6,8H2,1-2H3