ethyl 6-methyl-1-[(2-methylphenyl)methylsulfanyl]-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 6-methyl-1-[(2-methylphenyl)methylsulfanyl]-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-1-(o-tolylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-[(2-methylphenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-[(2-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-6-methyl-1-[(2-methylbenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H25NO3S2 MolecularWeight: 499.6437

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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=CC=C5C)C

Isomeric SMILES

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

InChI

InChI=1S/C29H25NO3S2/c1-4-33-28(32)23-22-16-18(2)14-15-30(22)25-24(23)27(26(31)20-11-6-5-7-12-20)35-29(25)34-17-21-13-9-8-10-19(21)3/h5-16H,4,17H2,1-3H3