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

Systemtic Name: methyl 4-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate CAS Name: 4-[[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinan-6-yl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-oxo-1,3-thiazinane-6-carbonyl]amino]benzoate Traditional Name: 4-[[2-(1,3-benzodioxol-5-ylimino)-3-ethyl-4-keto-1,3-thiazinane-6-carbonyl]amino]benzoic acid methyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

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)OC

Isomeric SMILES

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

InChI

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