(phenylmethyl) 3-[[(E)-(2-methoxyphenyl)methylideneamino]-sulfanyl-methyl]-3-oxidanyl-pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) 3-[[(E)-(2-methoxyphenyl)methylideneamino]-sulfanyl-methyl]-3-oxidanyl-pyrrolidine-1-carboxylate Openeye Name: benzyl 3-hydroxy-3-[[(E)-(2-methoxyphenyl)methyleneamino]-sulfanyl-methyl]pyrrolidine-1-carboxylate CAS Name: 3-hydroxy-3-[mercapto-[(E)-(2-methoxyphenyl)methylideneamino]methyl]-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-hydroxy-3-[[(E)-(2-methoxyphenyl)methylideneamino]-sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 3-hydroxy-3-[mercapto-[(E)-o-anisylideneamino]methyl]pyrrolidine-1-carboxylic acid benzyl ester Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=NC(C2(CCN(C2)C(=O)OCC3=CC=CC=C3)O)S

Isomeric SMILES

COC1=CC=CC=C1/C=N/C(C2(CCN(C2)C(=O)OCC3=CC=CC=C3)O)S

InChI

InChI=1S/C21H24N2O4S/c1-26-18-10-6-5-9-17(18)13-22-19(28)21(25)11-12-23(15-21)20(24)27-14-16-7-3-2-4-8-16/h2-10,13,19,25,28H,11-12,14-15H2,1H3/b22-13+