4-[[3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(4-fluorophenyl)imino-4-keto-3-veratryl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C27H24FN3O6S MolecularWeight: 537.559363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN2C(=O)CC(SC2=NC3=CC=C(C=C3)F)C(=O)NC4=CC=C(C=C4)C(=O)O)OC

InChI

InChI=1S/C27H24FN3O6S/c1-36-21-12-3-16(13-22(21)37-2)15-31-24(32)14-23(38-27(31)30-20-10-6-18(28)7-11-20)25(33)29-19-8-4-17(5-9-19)26(34)35/h3-13,23H,14-15H2,1-2H3,(H,29,33)(H,34,35)