3-(4-propan-2-ylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid

Systemtic Name: 3-(4-propan-2-ylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-isopropylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(4-propan-2-ylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(4-propan-2-ylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-isopropylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO2S/c1-12(2)13-5-7-14(8-6-13)18(23)17-10-9-16-15(19(21)22)4-3-11-20(16)17/h5-10,12,15H,3-4,11H2,1-2H3,(H,21,22)