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

Systemtic Name: 4-[[3-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[3-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-[2-(4-chlorophenyl)ethyl]-2-(4-fluorophenyl)imino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C26H21ClFN3O4S MolecularWeight: 525.979043

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Descriptors Computed from Structure

Canonical SMILES:

C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CCC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1C(SC(=NC2=CC=C(C=C2)F)N(C1=O)CCC3=CC=C(C=C3)Cl)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C26H21ClFN3O4S/c27-18-5-1-16(2-6-18)13-14-31-23(32)15-22(36-26(31)30-21-11-7-19(28)8-12-21)24(33)29-20-9-3-17(4-10-20)25(34)35/h1-12,22H,13-15H2,(H,29,33)(H,34,35)