2-(2-ethoxy-6-methoxy-4-propan-2-yl-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate

Systemtic Name: 2-(2-ethoxy-6-methoxy-4-propan-2-yl-phenyl)-3-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]propanoate Openeye Name: 2-(2-ethoxy-4-isopropyl-6-methoxy-phenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate CAS Name: 2-(2-ethoxy-6-methoxy-4-propan-2-ylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate IUPAC Name: 2-(2-ethoxy-6-methoxy-4-propan-2-ylphenyl)-3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propanoate Traditional Name: 2-(2-ethoxy-4-isopropyl-6-methoxy-phenyl)-3-(1,1,3-triketo-1,2-benzothiazol-2-yl)propionate Formula: C22H24NO7S- MolecularWeight: 446.49346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1C(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)[O-])OC)C(C)C

Isomeric SMILES

CCOC1=CC(=CC(=C1C(CN2C(=O)C3=CC=CC=C3S2(=O)=O)C(=O)[O-])OC)C(C)C

InChI

InChI=1S/C22H25NO7S/c1-5-30-18-11-14(13(2)3)10-17(29-4)20(18)16(22(25)26)12-23-21(24)15-8-6-7-9-19(15)31(23,27)28/h6-11,13,16H,5,12H2,1-4H3,(H,25,26)/p-1