3-[[2-(3-chloranyl-4-methoxy-phenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(3-chloranyl-4-methoxy-phenyl)imino-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(3-chloro-4-methoxy-phenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(3-chloro-4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(3-chloro-4-methoxyphenyl)imino-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(3-chloro-4-methoxy-phenyl)imino-4-keto-3-methyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C20H18ClN3O5S MolecularWeight: 447.89202

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(SC1=NC2=CC(=C(C=C2)OC)Cl)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CN1C(=O)CC(SC1=NC2=CC(=C(C=C2)OC)Cl)C(=O)NC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C20H18ClN3O5S/c1-24-17(25)10-16(18(26)22-12-5-3-4-11(8-12)19(27)28)30-20(24)23-13-6-7-15(29-2)14(21)9-13/h3-9,16H,10H2,1-2H3,(H,22,26)(H,27,28)