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

Systemtic Name: ethyl 6-methyl-1-(3-methylbut-2-enylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-6-methyl-1-(3-methylbut-2-enylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-(3-methylbut-2-enylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-6-methyl-1-(3-methylbut-2-enylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C26H25NO3S2 MolecularWeight: 463.6116

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C26H25NO3S2/c1-5-30-25(29)20-19-15-17(4)11-13-27(19)22-21(20)24(23(28)18-9-7-6-8-10-18)32-26(22)31-14-12-16(2)3/h6-13,15H,5,14H2,1-4H3