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

Systemtic Name: 3-(4-propylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-propylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(4-propylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(4-propylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-propylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

Isomeric SMILES

CCCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

InChI

InChI=1S/C19H21NO2S/c1-2-4-13-6-8-14(9-7-13)18(23)17-11-10-16-15(19(21)22)5-3-12-20(16)17/h6-11,15H,2-5,12H2,1H3,(H,21,22)