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

Systemtic Name: 3-[[2-(3-chlorophenyl)imino-4-oxidanylidene-3-phenethyl-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(3-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(3-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-chlorophenyl)imino-4-oxo-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(3-chlorophenyl)imino-4-keto-3-phenethyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C26H22ClN3O4S MolecularWeight: 507.98858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H22ClN3O4S/c27-19-9-5-11-21(15-19)29-26-30(13-12-17-6-2-1-3-7-17)23(31)16-22(35-26)24(32)28-20-10-4-8-18(14-20)25(33)34/h1-11,14-15,22H,12-13,16H2,(H,28,32)(H,33,34)