3-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid

Systemtic Name: 3-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 3-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 3-[[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 3-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 3-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C21H19N3O6S MolecularWeight: 441.45706

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C(=O)O

Isomeric SMILES

CCN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=CC(=C4)C(=O)O

InChI

InChI=1S/C21H19N3O6S/c1-2-24-18(25)10-17(19(26)22-13-5-3-4-12(8-13)20(27)28)31-21(24)23-14-6-7-15-16(9-14)30-11-29-15/h3-9,17H,2,10-11H2,1H3,(H,22,26)(H,27,28)