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

Systemtic Name: 4-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(4-ethoxyphenyl)imino-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[(3-ethyl-4-keto-2-p-phenetylimino-1,3-thiazinane-6-carbonyl)amino]benzoic acid Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OCC)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC=C(C=C2)OCC)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H23N3O5S/c1-3-25-19(26)13-18(20(27)23-15-7-5-14(6-8-15)21(28)29)31-22(25)24-16-9-11-17(12-10-16)30-4-2/h5-12,18H,3-4,13H2,1-2H3,(H,23,27)(H,28,29)