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

Systemtic Name: methyl 5-[2-(2-methylpropylsulfanyl)phenyl]carbonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate Openeye Name: methyl 5-(2-isobutylsulfanylbenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate CAS Name: 5-[[2-(2-methylpropylthio)phenyl]-oxomethyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid methyl ester IUPAC Name: methyl 5-[2-(2-methylpropylsulfanyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylate Traditional Name: 5-[2-(isobutylthio)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)CSC1=CC=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)OC

Isomeric SMILES

CC(C)CSC1=CC=CC=C1C(=O)C2=CC=C3N2CCC3C(=O)OC

InChI

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