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

Systemtic Name: 3-[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-ethyl-2-(4-methoxyphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[3-ethyl-4-keto-2-(4-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=C(C=C2)OC)C(=O)NC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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