ethyl 5,7-dimethyl-1-methylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 5,7-dimethyl-1-methylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-5,7-dimethyl-1-methylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-5,7-dimethyl-1-(methylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-5,7-dimethyl-1-methylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-5,7-dimethyl-1-(methylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H21NO3S2 MolecularWeight: 423.54774

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=CC=C4)SC)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H21NO3S2/c1-5-27-22(26)17-16-19(24-12-13(2)11-14(3)18(17)24)23(28-4)29-21(16)20(25)15-9-7-6-8-10-15/h6-12H,5H2,1-4H3