5-(4-methylphenyl)carbonyl-6-methylsulfinyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

Systemtic Name: 5-(4-methylphenyl)carbonyl-6-methylsulfinyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-methylbenzoyl)-6-methylsulfinyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-methylphenyl)-oxomethyl]-6-methylsulfinyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-methylbenzoyl)-6-methylsulfinyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-methylsulfinyl-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)S(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=C3N2CCC3C(=O)O)S(=O)C

InChI

InChI=1S/C17H17NO4S/c1-10-3-5-11(6-4-10)16(19)15-14(23(2)22)9-13-12(17(20)21)7-8-18(13)15/h3-6,9,12H,7-8H2,1-2H3,(H,20,21)