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

Systemtic Name: 4-[[(6R)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: 4-[[(6R)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[(6R)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoate IUPAC Name: 4-[[(6R)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[(6R)-2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoate Formula: C21H18N3O6S- MolecularWeight: 440.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C(=O)C[C@@H](SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H19N3O6S/c1-2-24-18(25)10-17(19(26)22-13-5-3-12(4-6-13)20(27)28)31-21(24)23-14-7-8-15-16(9-14)30-11-29-15/h3-9,17H,2,10-11H2,1H3,(H,22,26)(H,27,28)/p-1/t17-/m1/s1