methyl 4,5-dimethoxy-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate CAS Name: 4,5-dimethoxy-2-[[1-oxo-3-(3-oxo-1,4-benzothiazin-4-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[3-(3-oxo-1,4-benzothiazin-4-yl)propanoylamino]benzoate Traditional Name: 2-[3-(3-keto-1,4-benzothiazin-4-yl)propanoylamino]-4,5-dimethoxy-benzoic acid methyl ester Formula: C21H22N2O6S MolecularWeight: 430.47418

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)CCN2C(=O)CSC3=CC=CC=C32)OC

InChI

InChI=1S/C21H22N2O6S/c1-27-16-10-13(21(26)29-3)14(11-17(16)28-2)22-19(24)8-9-23-15-6-4-5-7-18(15)30-12-20(23)25/h4-7,10-11H,8-9,12H2,1-3H3,(H,22,24)