3-[[(6R)-3-ethyl-2-ethylimino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[(6R)-3-ethyl-2-ethylimino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[(6R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[(6R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[(6R)-3-ethyl-2-ethylimino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[(6R)-3-ethyl-2-ethylimino-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

CCN=C1N(C(=O)CC(S1)C(=O)NC2=CC=CC(=C2)C(=O)O)CC

Isomeric SMILES

CCN=C1N(C(=O)C[C@@H](S1)C(=O)NC2=CC=CC(=C2)C(=O)O)CC

InChI

InChI=1S/C16H19N3O4S/c1-3-17-16-19(4-2)13(20)9-12(24-16)14(21)18-11-7-5-6-10(8-11)15(22)23/h5-8,12H,3-4,9H2,1-2H3,(H,18,21)(H,22,23)/t12-/m1/s1