(phenylmethyl) 1-(2-azanylethylsulfanylcarbonyl)pyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(2-azanylethylsulfanylcarbonyl)pyrrolidine-2-carboxylate Openeye Name: benzyl 1-(2-aminoethylsulfanylcarbonyl)pyrrolidine-2-carboxylate CAS Name: 1-[(2-aminoethylthio)-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(2-aminoethylsulfanylcarbonyl)pyrrolidine-2-carboxylate Traditional Name: 1-(2-aminoethylthio)carbonylpyrrolidine-2-carboxylic acid benzyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)SCCN)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CC(N(C1)C(=O)SCCN)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H20N2O3S/c16-8-10-21-15(19)17-9-4-7-13(17)14(18)20-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11,16H2