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

Systemtic Name: 4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoic acid Openeye Name: 4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid IUPAC Name: 4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoic acid Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylimino)-4-keto-3-methyl-1,3-thiazinane-6-carbonyl]amino]benzoic acid Formula: C20H17N3O6S MolecularWeight: 427.43048

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

CN1C(=O)CC(SC1=NC2=CC3=C(C=C2)OCO3)C(=O)NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C20H17N3O6S/c1-23-17(24)9-16(18(25)21-12-4-2-11(3-5-12)19(26)27)30-20(23)22-13-6-7-14-15(8-13)29-10-28-14/h2-8,16H,9-10H2,1H3,(H,21,25)(H,26,27)