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

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-(2-methylprop-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-1-(2-methylallylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(2-methylprop-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-(2-methylprop-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-1-(2-methylallylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H20ClNO3S2 MolecularWeight: 470.0035

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)Cl)SCC(=C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H20ClNO3S2/c1-4-29-23(28)18-17-7-5-6-12-26(17)20-19(18)22(31-24(20)30-13-14(2)3)21(27)15-8-10-16(25)11-9-15/h5-12H,2,4,13H2,1,3H3