methyl 3-(3-methylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: methyl 3-(3-methylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: methyl 3-(3-methylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(3-methylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(3-methylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(3-methylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-12-5-3-6-13(11-12)17(22)16-9-8-15-14(18(20)21-2)7-4-10-19(15)16/h3,5-6,8-9,11,14H,4,7,10H2,1-2H3