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

Systemtic Name: 3-[4-(2-methylpropyl)phenyl]carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-isobutylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[[4-(2-methylpropyl)phenyl]-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-[4-(2-methylpropyl)benzenecarbothioyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-isobutylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

InChI

InChI=1S/C20H23NO2S/c1-13(2)12-14-5-7-15(8-6-14)19(24)18-10-9-17-16(20(22)23)4-3-11-21(17)18/h5-10,13,16H,3-4,11-12H2,1-2H3,(H,22,23)