(phenylmethyl) (2S)-1-[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylpyrrolidine-2-carboxylate

Systemtic Name: (phenylmethyl) (2S)-1-[2-(2,5-dimethoxyphenyl)sulfanylpyridin-3-yl]carbonylpyrrolidine-2-carboxylate Openeye Name: benzyl (2S)-1-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[2-[(2,5-dimethoxyphenyl)thio]-3-pyridinyl]-oxomethyl]-2-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-1-[2-(2,5-dimethoxyphenyl)sulfanylpyridine-3-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-[(2,5-dimethoxyphenyl)thio]nicotinoyl]pyrrolidine-2-carboxylic acid benzyl ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N3CCCC3C(=O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)SC2=C(C=CC=N2)C(=O)N3CCC[C@H]3C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2O5S/c1-31-19-12-13-22(32-2)23(16-19)34-24-20(10-6-14-27-24)25(29)28-15-7-11-21(28)26(30)33-17-18-8-4-3-5-9-18/h3-6,8-10,12-14,16,21H,7,11,15,17H2,1-2H3/t21-/m0/s1