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

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

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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)OC

Isomeric SMILES

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

InChI

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