methyl 1-(2-phenethylsulfanylethanoyl)pyrrolidine-2-carboxylate

Systemtic Name: methyl 1-(2-phenethylsulfanylethanoyl)pyrrolidine-2-carboxylate Openeye Name: methyl 1-(2-phenethylsulfanylacetyl)pyrrolidine-2-carboxylate CAS Name: 1-[1-oxo-2-(phenethylthio)ethyl]-2-pyrrolidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2-phenethylsulfanylacetyl)pyrrolidine-2-carboxylate Traditional Name: 1-[2-(phenethylthio)acetyl]pyrrolidine-2-carboxylic acid methyl ester Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN1C(=O)CSCCC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1CCCN1C(=O)CSCCC2=CC=CC=C2

InChI

InChI=1S/C16H21NO3S/c1-20-16(19)14-8-5-10-17(14)15(18)12-21-11-9-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-12H2,1H3