3-(4-butylsulfinylphenyl)carbonyl-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid

Systemtic Name: 3-(4-butylsulfinylphenyl)carbonyl-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-butylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(4-butylsulfinylphenyl)-oxomethyl]-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(4-butylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-butylsulfinylbenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-3-4-12-27(26)16-9-7-15(8-10-16)20(23)19-14(2)13-18-17(21(24)25)6-5-11-22(18)19/h7-10,13,17H,3-6,11-12H2,1-2H3,(H,24,25)