methyl 6-iodanyl-2-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-1,3-benzothiazine-2-carboxylate

Systemtic Name: methyl 6-iodanyl-2-(2-methoxy-2-oxidanylidene-ethyl)-4-oxidanylidene-3H-1,3-benzothiazine-2-carboxylate Openeye Name: methyl 6-iodo-2-(2-methoxy-2-oxo-ethyl)-4-oxo-3H-1,3-benzothiazine-2-carboxylate CAS Name: 6-iodo-2-(2-methoxy-2-oxoethyl)-4-oxo-3H-1,3-benzothiazine-2-carboxylic acid methyl ester IUPAC Name: methyl 6-iodo-2-(2-methoxy-2-oxoethyl)-4-oxo-3H-1,3-benzothiazine-2-carboxylate Traditional Name: 6-iodo-4-keto-2-(2-keto-2-methoxy-ethyl)-3H-1,3-benzothiazine-2-carboxylic acid methyl ester Formula: C13H12INO5S MolecularWeight: 421.20755

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(NC(=O)C2=C(S1)C=CC(=C2)I)C(=O)OC

Isomeric SMILES

COC(=O)CC1(NC(=O)C2=C(S1)C=CC(=C2)I)C(=O)OC

InChI

InChI=1S/C13H12INO5S/c1-19-10(16)6-13(12(18)20-2)15-11(17)8-5-7(14)3-4-9(8)21-13/h3-5H,6H2,1-2H3,(H,15,17)