propan-2-yl 3-(3-ethylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: propan-2-yl 3-(3-ethylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: isopropyl 3-(3-ethylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(3-ethylsulfinylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(3-ethylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(3-ethylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid isopropyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OC(C)C

Isomeric SMILES

CCS(=O)C1=CC=CC(=C1)C(=O)C2=CC=C3N2CCCC3C(=O)OC(C)C

InChI

InChI=1S/C21H25NO4S/c1-4-27(25)16-8-5-7-15(13-16)20(23)19-11-10-18-17(9-6-12-22(18)19)21(24)26-14(2)3/h5,7-8,10-11,13-14,17H,4,6,9,12H2,1-3H3