3-(4-butylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid

Systemtic Name: 3-(4-butylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-butylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(4-butylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(4-butylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-butylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

InChI

InChI=1S/C20H23NO2S/c1-2-3-5-14-7-9-15(10-8-14)19(24)18-12-11-17-16(20(22)23)6-4-13-21(17)18/h7-12,16H,2-6,13H2,1H3,(H,22,23)