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

Systemtic Name: ethyl 6-methyl-1-(2-methylprop-2-enylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-1-(2-methylallylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-(2-methylprop-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-(2-methylprop-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-6-methyl-1-(2-methylallylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C25H23NO3S2 MolecularWeight: 449.58502

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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)SCC(=C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO3S2/c1-5-29-24(28)19-18-13-16(4)11-12-26(18)21-20(19)23(31-25(21)30-14-15(2)3)22(27)17-9-7-6-8-10-17/h6-13H,2,5,14H2,1,3-4H3