methyl 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate

Systemtic Name: methyl 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazine-6-carboxylate Openeye Name: methyl 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylate CAS Name: 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylic acid methyl ester IUPAC Name: methyl 3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazine-6-carboxylate Traditional Name: 2-(4-fluorophenyl)imino-4-keto-3-veratryl-1,3-thiazine-6-carboxylic acid methyl ester Formula: C21H19FN2O5S MolecularWeight: 430.449363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)C=C(SC2=NC3=CC=C(C=C3)F)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)C=C(SC2=NC3=CC=C(C=C3)F)C(=O)OC)OC

InChI

InChI=1S/C21H19FN2O5S/c1-27-16-9-4-13(10-17(16)28-2)12-24-19(25)11-18(20(26)29-3)30-21(24)23-15-7-5-14(22)6-8-15/h4-11H,12H2,1-3H3