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

Systemtic Name: ethyl 4-[[2-(1,3-benzodioxol-5-ylimino)-3-methyl-4-oxidanylidene-1,3-thiazinan-6-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC4=C(C=C3)OCO4)S2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC(=O)N(C(=NC3=CC4=C(C=C3)OCO4)S2)C

InChI

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