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

Systemtic Name: ethyl 3-(phenylcarbonyl)-1-(1-phenylethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-(1-phenylethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(1-phenylethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(1-phenylethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(1-phenylethylthio)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)SC(C)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C28H23NO3S2/c1-3-32-27(31)22-21-16-10-11-17-29(21)24-23(22)26(25(30)20-14-8-5-9-15-20)34-28(24)33-18(2)19-12-6-4-7-13-19/h4-18H,3H2,1-2H3