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

Systemtic Name: [2-oxidanylidene-2-[2-(phenylmethylsulfanyl)ethylamino]ethyl] 3-ethoxy-4-methoxy-benzoate Openeye Name: [2-(2-benzylsulfanylethylamino)-2-oxo-ethyl] 3-ethoxy-4-methoxy-benzoate CAS Name: 3-ethoxy-4-methoxybenzoic acid [2-oxo-2-[2-(phenylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-(2-benzylsulfanylethylamino)-2-oxoethyl] 3-ethoxy-4-methoxybenzoate Traditional Name: 3-ethoxy-4-methoxy-benzoic acid [2-[2-(benzylthio)ethylamino]-2-keto-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)NCCSCC2=CC=CC=C2)OC

InChI

InChI=1S/C21H25NO5S/c1-3-26-19-13-17(9-10-18(19)25-2)21(24)27-14-20(23)22-11-12-28-15-16-7-5-4-6-8-16/h4-10,13H,3,11-12,14-15H2,1-2H3,(H,22,23)