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

Systemtic Name: 3-[4-(2-methylpropylsulfinyl)phenyl]carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-isobutylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[[4-(2-methylpropylsulfinyl)phenyl]-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-[4-(2-methylpropylsulfinyl)benzoyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-isobutylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C20H23NO4S MolecularWeight: 373.46592

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO4S/c1-13(2)12-26(25)15-7-5-14(6-8-15)19(22)18-10-9-17-16(20(23)24)4-3-11-21(17)18/h5-10,13,16H,3-4,11-12H2,1-2H3,(H,23,24)