3-(3-ethylsulfinylphenyl)carbonyl-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid

Systemtic Name: 3-(3-ethylsulfinylphenyl)carbonyl-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(3-ethylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(3-ethylsulfinylphenyl)-oxomethyl]-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(3-ethylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(3-ethylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C19H21NO4S MolecularWeight: 359.43934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO4S/c1-3-25(24)14-7-4-6-13(11-14)18(21)17-12(2)10-16-15(19(22)23)8-5-9-20(16)17/h4,6-7,10-11,15H,3,5,8-9H2,1-2H3,(H,22,23)