methyl 5-[4-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate

Systemtic Name: methyl 5-[4-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(4-isobutylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[[4-(2-methylpropylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-[4-(2-methylpropylsulfanyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-[4-(isobutylthio)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)CSC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)OC

Isomeric SMILES

CC(C)CSC1=CC=C(C=C1)C(=O)C2=CC=C3N2CCC3C(=O)OC

InChI

InChI=1S/C20H23NO3S/c1-13(2)12-25-15-6-4-14(5-7-15)19(22)18-9-8-17-16(20(23)24-3)10-11-21(17)18/h4-9,13,16H,10-12H2,1-3H3