2-[(S)-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfinyl]ethanoate

Systemtic Name: 2-[(S)-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxidanylidene-ethyl]sulfinyl]ethanoate Openeye Name: 2-[(S)-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxo-ethyl]sulfinyl]acetate CAS Name: 2-[(S)-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfinyl]acetate IUPAC Name: 2-[(S)-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]sulfinyl]acetate Traditional Name: 2-[(S)-[2-keto-2-(veratrylamino)ethyl]sulfinyl]acetate Formula: C13H16NO6S- MolecularWeight: 314.33424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CS(=O)CC(=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C[S@](=O)CC(=O)[O-])OC

InChI

InChI=1S/C13H17NO6S/c1-19-10-4-3-9(5-11(10)20-2)6-14-12(15)7-21(18)8-13(16)17/h3-5H,6-8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t21-/m0/s1