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

Systemtic Name: (phenylmethyl) 3-methoxy-3-[[(E)-(2-methoxyphenyl)methylideneamino]-sulfanyl-methyl]pyrrolidine-1-carboxylate Openeye Name: benzyl 3-methoxy-3-[[(E)-(2-methoxyphenyl)methyleneamino]-sulfanyl-methyl]pyrrolidine-1-carboxylate CAS Name: 3-[mercapto-[(E)-(2-methoxyphenyl)methylideneamino]methyl]-3-methoxy-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-methoxy-3-[[(E)-(2-methoxyphenyl)methylideneamino]-sulfanylmethyl]pyrrolidine-1-carboxylate Traditional Name: 3-[mercapto-[(E)-o-anisylideneamino]methyl]-3-methoxy-pyrrolidine-1-carboxylic acid benzyl ester Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c1-26-19-11-7-6-10-18(19)14-23-20(29)22(27-2)12-13-24(16-22)21(25)28-15-17-8-4-3-5-9-17/h3-11,14,20,29H,12-13,15-16H2,1-2H3/b23-14+