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

Systemtic Name: 3-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[3-ethyl-2-(4-methoxycarbonylphenyl)imino-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(4-carbomethoxyphenyl)imino-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N3O6S/c1-3-25-18(26)12-17(19(27)23-16-6-4-5-14(11-16)20(28)29)32-22(25)24-15-9-7-13(8-10-15)21(30)31-2/h4-11,17H,3,12H2,1-2H3,(H,23,27)(H,28,29)