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

Systemtic Name: 4-[[2-(3-chlorophenyl)imino-4-oxidanylidene-3-(phenylmethyl)-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[3-benzyl-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(3-chlorophenyl)imino-4-oxo-3-(phenylmethyl)-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[3-benzyl-2-(3-chlorophenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[3-benzyl-2-(3-chlorophenyl)imino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C25H20ClN3O4S MolecularWeight: 493.962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H20ClN3O4S/c26-18-7-4-8-20(13-18)28-25-29(15-16-5-2-1-3-6-16)22(30)14-21(34-25)23(31)27-19-11-9-17(10-12-19)24(32)33/h1-13,21H,14-15H2,(H,27,31)(H,32,33)