methyl 1-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]pyrrolidine-2-carboxylate Openeye Name: methyl 1-[2-(m-tolylmethylsulfanyl)acetyl]pyrrolidine-2-carboxylate CAS Name: 1-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-[(3-methylphenyl)methylsulfanyl]acetyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-[(3-methylbenzyl)thio]acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCCC2C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCCC2C(=O)OC

InChI

InChI=1S/C16H21NO3S/c1-12-5-3-6-13(9-12)10-21-11-15(18)17-8-4-7-14(17)16(19)20-2/h3,5-6,9,14H,4,7-8,10-11H2,1-2H3