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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-cyclohex-2-en-1-ylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-cyclohex-2-en-1-ylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(1-cyclohex-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-cyclohex-2-en-1-ylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(cyclohex-2-en-1-ylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C26H22BrNO3S2 MolecularWeight: 540.49178

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)SC5CCCC=C5

Isomeric SMILES

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

InChI

InChI=1S/C26H22BrNO3S2/c1-2-31-25(30)20-19-10-6-7-15-28(19)22-21(20)24(23(29)16-11-13-17(27)14-12-16)33-26(22)32-18-8-4-3-5-9-18/h4,6-8,10-15,18H,2-3,5,9H2,1H3