methyl 3-(4-butylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate

Systemtic Name: methyl 3-(4-butylsulfinylphenyl)carbonyl-5,6,7,8-tetrahydroindolizine-8-carboxylate Openeye Name: methyl 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate CAS Name: 3-[(4-butylsulfinylphenyl)-oxomethyl]-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylate Traditional Name: 3-(4-butylsulfinylbenzoyl)-5,6,7,8-tetrahydroindolizine-8-carboxylic acid methyl ester Formula: C21H25NO4S MolecularWeight: 387.4925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO4S/c1-3-4-14-27(25)16-9-7-15(8-10-16)20(23)19-12-11-18-17(21(24)26-2)6-5-13-22(18)19/h7-12,17H,3-6,13-14H2,1-2H3