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

Systemtic Name: 3-(4-methylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(4-methylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(4-methylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(4-methylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(4-methylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S/c1-11-4-6-12(7-5-11)16(21)15-9-8-14-13(17(19)20)3-2-10-18(14)15/h4-9,13H,2-3,10H2,1H3,(H,19,20)