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

Systemtic Name: ethyl 1-[(2-methylphenyl)methylsulfanyl]-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-(o-tolylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-[(2-methylphenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-[(2-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-[(2-methylbenzyl)thio]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)SCC5=CC=CC=C5C

Isomeric SMILES

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

InChI

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