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

Systemtic Name: 3-(3-methylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Openeye Name: 3-(3-methylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid CAS Name: 3-[(3-methylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid IUPAC Name: 3-(3-methylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid Traditional Name: 3-(3-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=CC(=C1)C(=S)C2=CC=C3N2CCCC3C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S/c1-11-4-2-5-12(10-11)16(21)15-8-7-14-13(17(19)20)6-3-9-18(14)15/h2,4-5,7-8,10,13H,3,6,9H2,1H3,(H,19,20)