propan-2-yl 3-(2-ethylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: propan-2-yl 3-(2-ethylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: isopropyl 3-(2-ethylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(2-ethylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(2-ethylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(2-ethylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid isopropyl ester Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO2S/c1-4-15-8-5-6-9-16(15)20(25)19-12-11-18-17(10-7-13-22(18)19)21(23)24-14(2)3/h5-6,8-9,11-12,14,17H,4,7,10,13H2,1-3H3