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

Systemtic Name: ethyl 1-phenethylsulfanyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-phenethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(phenethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-phenethylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(phenethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C28H23NO3S2 MolecularWeight: 485.61712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCCC5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCCC5=CC=CC=C5

InChI

InChI=1S/C28H23NO3S2/c1-2-32-27(31)22-21-15-9-10-17-29(21)24-23(22)26(25(30)20-13-7-4-8-14-20)34-28(24)33-18-16-19-11-5-3-6-12-19/h3-15,17H,2,16,18H2,1H3