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

Systemtic Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxidanylidene-2-phenylimino-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-(4-fluorobenzyl)-4-keto-2-phenylimino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C25H20FN3O4S MolecularWeight: 477.507403

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=CC=C2)N(C1=O)CC3=CC=C(C=C3)F)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C25H20FN3O4S/c26-18-11-9-16(10-12-18)15-29-22(30)14-21(34-25(29)28-19-6-2-1-3-7-19)23(31)27-20-8-4-5-17(13-20)24(32)33/h1-13,21H,14-15H2,(H,27,31)(H,32,33)