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

Systemtic Name: 3-(2-ethylphenyl)carbothioyl-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(2-ethylbenzenecarbothioyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(2-ethylphenyl)-sulfanylidenemethyl]-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(2-ethylbenzenecarbothioyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(2-ethylthiobenzoyl)-2-methyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1C(=S)C2=C(C=C3N2CCCC3C(=O)O)C

Isomeric SMILES

CCC1=CC=CC=C1C(=S)C2=C(C=C3N2CCCC3C(=O)O)C

InChI

InChI=1S/C19H21NO2S/c1-3-13-7-4-5-8-14(13)18(23)17-12(2)11-16-15(19(21)22)9-6-10-20(16)17/h4-5,7-8,11,15H,3,6,9-10H2,1-2H3,(H,21,22)