ethyl 6-methyl-3-(phenylcarbonyl)-1-prop-2-enylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 6-methyl-3-(phenylcarbonyl)-1-prop-2-enylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-allylsulfanyl-3-benzoyl-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-(prop-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-prop-2-enylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(allylthio)-3-benzoyl-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H21NO3S2 MolecularWeight: 435.55844

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=CC=C4)SCC=C)C

Isomeric SMILES

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

InChI

InChI=1S/C24H21NO3S2/c1-4-13-29-24-20-19(22(30-24)21(26)16-9-7-6-8-10-16)18(23(27)28-5-2)17-14-15(3)11-12-25(17)20/h4,6-12,14H,1,5,13H2,2-3H3