methyl 3-(4-ethylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: methyl 3-(4-ethylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: methyl 3-(4-ethylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(4-ethylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-ethylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(4-ethylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=S)C2=CC=C3N2CCCC3C(=O)OC

InChI

InChI=1S/C19H21NO2S/c1-3-13-6-8-14(9-7-13)18(23)17-11-10-16-15(19(21)22-2)5-4-12-20(16)17/h6-11,15H,3-5,12H2,1-2H3