(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-(thiophen-2-ylcarbonylamino)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate CAS Name: 4,5-dimethoxy-2-[[oxo(thiophen-2-yl)methyl]amino]benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4,5-dimethoxy-2-(thiophene-2-carbonylamino)benzoate Traditional Name: 4,5-dimethoxy-2-(2-thenoylamino)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H20ClNO7S MolecularWeight: 489.9254

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)NC(=O)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=C3C(=CC(=C2)Cl)COCO3)NC(=O)C4=CC=CS4)OC

InChI

InChI=1S/C23H20ClNO7S/c1-28-18-8-16(17(9-19(18)29-2)25-22(26)20-4-3-5-33-20)23(27)31-11-14-7-15(24)6-13-10-30-12-32-21(13)14/h3-9H,10-12H2,1-2H3,(H,25,26)