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

Systemtic Name: 3-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[(3,4-dimethoxyphenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[(4-keto-2-phenylimino-3-veratryl-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H25N3O6S/c1-35-21-12-11-17(13-22(21)36-2)16-30-24(31)15-23(37-27(30)29-19-8-4-3-5-9-19)25(32)28-20-10-6-7-18(14-20)26(33)34/h3-14,23H,15-16H2,1-2H3,(H,28,32)(H,33,34)