(phenylmethyl) 2-[[1-(2-ethylsulfanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]sulfanylmethyl]pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 2-[[1-(2-ethylsulfanylethylamino)-4-methyl-1-oxidanylidene-pentan-2-yl]sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[1-(2-ethylsulfanylethylcarbamoyl)-3-methyl-butyl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[1-[2-(ethylthio)ethylamino]-4-methyl-1-oxopentan-2-yl]thio]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(2-ethylsulfanylethylamino)-4-methyl-1-oxopentan-2-yl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[1-[2-(ethylthio)ethylcarbamoyl]-3-methyl-butyl]thio]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C23H36N2O3S2 MolecularWeight: 452.67354

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCNC(=O)C(CC(C)C)SCC1CCCN1C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCSCCNC(=O)C(CC(C)C)SCC1CCCN1C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C23H36N2O3S2/c1-4-29-14-12-24-22(26)21(15-18(2)3)30-17-20-11-8-13-25(20)23(27)28-16-19-9-6-5-7-10-19/h5-7,9-10,18,20-21H,4,8,11-17H2,1-3H3,(H,24,26)