methyl 3-[4-(2-methylpropylsulfinyl)phenyl]carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: methyl 3-[4-(2-methylpropylsulfinyl)phenyl]carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: methyl 3-(4-isobutylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[[4-(2-methylpropylsulfinyl)phenyl]-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester IUPAC Name: methyl 3-[4-(2-methylpropylsulfinyl)benzoyl]-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(4-isobutylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CS(=O)C1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OC

Isomeric SMILES

CC(C)CS(=O)C1=CC=C(C=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OC

InChI

InChI=1S/C21H25NO4S/c1-14(2)13-27(25)16-8-6-15(7-9-16)20(23)19-11-10-18-17(21(24)26-3)5-4-12-22(18)19/h6-11,14,17H,4-5,12-13H2,1-3H3