methyl 4,5-dimethoxy-2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[(1-oxidanylideneisothiochromen-3-yl)carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-(1-oxo-2-benzothiopyran-3-yl)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[(1-oxoisothiochromene-3-carbonyl)amino]benzoate Traditional Name: 2-[(1-ketoisothiochromene-3-carbonyl)amino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C20H17NO6S MolecularWeight: 399.41708

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC3=CC=CC=C3C(=O)S2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC3=CC=CC=C3C(=O)S2)OC

InChI

InChI=1S/C20H17NO6S/c1-25-15-9-13(19(23)27-3)14(10-16(15)26-2)21-18(22)17-8-11-6-4-5-7-12(11)20(24)28-17/h4-10H,1-3H3,(H,21,22)