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

Systemtic Name: 5-(4-methylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Openeye Name: 5-(4-methylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid CAS Name: 5-[(4-methylphenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid IUPAC Name: 5-(4-methylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Traditional Name: 6-(methylthio)-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid Formula: C17H17NO3S MolecularWeight: 315.38678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO3S/c1-10-3-5-11(6-4-10)16(19)15-14(22-2)9-13-12(17(20)21)7-8-18(13)15/h3-6,9,12H,7-8H2,1-2H3,(H,20,21)