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

Systemtic Name: 2-methyl-3-(3-propylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 2-methyl-3-(3-propylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 2-methyl-3-[(3-propylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 2-methyl-3-(3-propylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 2-methyl-3-(3-propylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO2S/c1-3-6-14-7-4-8-15(12-14)19(24)18-13(2)11-17-16(20(22)23)9-5-10-21(17)18/h4,7-8,11-12,16H,3,5-6,9-10H2,1-2H3,(H,22,23)