ethyl 1-[(2-cyanophenyl)methylsulfanyl]-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-[(2-cyanophenyl)methylsulfanyl]-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(2-cyanophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[(2-cyanophenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(2-cyanophenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[(2-cyanobenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C28H20N2O3S2 MolecularWeight: 496.6

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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)SCC5=CC=CC=C5C#N

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC5=CC=CC=C5C#N

InChI

InChI=1S/C28H20N2O3S2/c1-2-33-27(32)22-21-14-8-9-15-30(21)24-23(22)26(25(31)18-10-4-3-5-11-18)35-28(24)34-17-20-13-7-6-12-19(20)16-29/h3-15H,2,17H2,1H3