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

Systemtic Name: 4-[[(6R)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[(6R)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[(6R)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[(6R)-3-ethyl-2-(2-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[(6R)-3-ethyl-4-keto-2-(2-methoxyphenyl)imino-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC=CC=C2OC)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)C[C@@H](SC1=NC2=CC=CC=C2OC)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O5S/c1-3-24-18(25)12-17(19(26)22-14-10-8-13(9-11-14)20(27)28)30-21(24)23-15-6-4-5-7-16(15)29-2/h4-11,17H,3,12H2,1-2H3,(H,22,26)(H,27,28)/t17-/m1/s1