methyl 3-methoxy-4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethoxy]benzoate

Systemtic Name: methyl 3-methoxy-4-[2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethoxy]benzoate Openeye Name: methyl 4-[2-(2-benzylsulfanylethylamino)-2-oxo-ethoxy]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[2-oxo-2-[2-(phenylmethylthio)ethylamino]ethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-benzylsulfanylethylamino)-2-oxoethoxy]-3-methoxybenzoate Traditional Name: 4-[2-[2-(benzylthio)ethylamino]-2-keto-ethoxy]-3-methoxy-benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)NCCSCC2=CC=CC=C2

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)OCC(=O)NCCSCC2=CC=CC=C2

InChI

InChI=1S/C20H23NO5S/c1-24-18-12-16(20(23)25-2)8-9-17(18)26-13-19(22)21-10-11-27-14-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)