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

Systemtic Name: (phenylmethyl) 2-[[4-methyl-1-oxidanylidene-1-(propylamino)pentan-2-yl]sulfanylmethyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 2-[[3-methyl-1-(propylcarbamoyl)butyl]sulfanylmethyl]pyrrolidine-1-carboxylate CAS Name: 2-[[[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]thio]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[4-methyl-1-oxo-1-(propylamino)pentan-2-yl]sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[[[3-methyl-1-(propylcarbamoyl)butyl]thio]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H34N2O3S MolecularWeight: 406.58196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H34N2O3S/c1-4-12-23-21(25)20(14-17(2)3)28-16-19-11-8-13-24(19)22(26)27-15-18-9-6-5-7-10-18/h5-7,9-10,17,19-20H,4,8,11-16H2,1-3H3,(H,23,25)