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

Systemtic Name: propan-2-yl 3-(3-propylphenyl)carbothioyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: isopropyl 3-(3-propylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(3-propylphenyl)-sulfanylidenemethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-propylbenzenecarbothioyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(3-propylthiobenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid isopropyl ester Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=CC(=C1)C(=S)C2=CC=C3N2CCCC3C(=O)OC(C)C

Isomeric SMILES

CCCC1=CC=CC(=C1)C(=S)C2=CC=C3N2CCCC3C(=O)OC(C)C

InChI

InChI=1S/C22H27NO2S/c1-4-7-16-8-5-9-17(14-16)21(26)20-12-11-19-18(10-6-13-23(19)20)22(24)25-15(2)3/h5,8-9,11-12,14-15,18H,4,6-7,10,13H2,1-3H3