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

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

Isomeric SMILES

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

InChI

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