ethyl 1-[(4-cyanophenyl)methylsulfanyl]-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 1-[(4-cyanophenyl)methylsulfanyl]-6-methyl-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-[(4-cyanophenyl)methylsulfanyl]-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[(4-cyanophenyl)methylthio]-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(4-cyanophenyl)methylsulfanyl]-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[(4-cyanobenzyl)thio]-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H22N2O3S2 MolecularWeight: 510.62658

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)C#N)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)SCC5=CC=C(C=C5)C#N)C

InChI

InChI=1S/C29H22N2O3S2/c1-3-34-28(33)23-22-15-18(2)13-14-31(22)25-24(23)27(26(32)21-7-5-4-6-8-21)36-29(25)35-17-20-11-9-19(16-30)10-12-20/h4-15H,3,17H2,1-2H3