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

Systemtic Name: methyl 5-(4-methylphenyl)carbonyl-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-methylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[(4-methylphenyl)-oxomethyl]-6-(methylthio)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-methylbenzoyl)-6-methylsulfanyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 6-(methylthio)-5-p-toluoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C18H19NO3S MolecularWeight: 329.41336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO3S/c1-11-4-6-12(7-5-11)17(20)16-15(23-3)10-14-13(18(21)22-2)8-9-19(14)16/h4-7,10,13H,8-9H2,1-3H3