methyl 5-(4-tert-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 5-(4-tert-butylsulfanylphenyl)carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-tert-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[[4-(tert-butylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-(4-tert-butylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-[4-(tert-butylthio)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester Formula: C20H23NO3S MolecularWeight: 357.46652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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