methyl 5-(3-tert-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 5-(3-tert-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(3-tert-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[[3-(tert-butylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(3-tert-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-[3-(tert-butylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)OC

Isomeric SMILES

CC(C)(C)SC1=CC=CC(=C1)C(=O)C2=CC=C3N2CCC3C(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-20(2,3)25-14-7-5-6-13(12-14)18(22)17-9-8-16-15(19(23)24-4)10-11-21(16)17/h5-9,12,15H,10-11H2,1-4H3