2-(2-methoxy-4-phenylmethoxy-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate

Systemtic Name: 2-(2-methoxy-4-phenylmethoxy-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: 2-(4-benzyloxy-2-methoxy-phenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: 2-(2-methoxy-4-phenylmethoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate IUPAC Name: 2-(2-methoxy-4-phenylmethoxyphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: 2-(4-benzoxy-2-methoxy-phenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionate Formula: C24H20NO7S- MolecularWeight: 466.4831

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(CN3C(=O)C4=CC=CC=C4S3(=O)=O)C(=O)[O-]

InChI

InChI=1S/C24H21NO7S/c1-31-21-13-17(32-15-16-7-3-2-4-8-16)11-12-18(21)20(24(27)28)14-25-23(26)19-9-5-6-10-22(19)33(25,29)30/h2-13,20H,14-15H2,1H3,(H,27,28)/p-1