ethyl 1-(naphthalen-1-ylmethylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-(naphthalen-1-ylmethylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-(1-naphthylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(1-naphthalenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(naphthalen-1-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(1-naphthylmethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C31H23NO3S2 MolecularWeight: 521.64922

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)SCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H23NO3S2/c1-2-35-30(34)25-24-17-8-9-18-32(24)27-26(25)29(28(33)21-12-4-3-5-13-21)37-31(27)36-19-22-15-10-14-20-11-6-7-16-23(20)22/h3-18H,2,19H2,1H3