propan-2-yl 3-(4-butylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: propan-2-yl 3-(4-butylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: isopropyl 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(4-butylsulfinylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid isopropyl ester Formula: C23H29NO4S MolecularWeight: 415.54566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO4S/c1-4-5-15-29(27)18-10-8-17(9-11-18)22(25)21-13-12-20-19(7-6-14-24(20)21)23(26)28-16(2)3/h8-13,16,19H,4-7,14-15H2,1-3H3