N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitrobenzamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-4,5-dimethoxy-2-nitro-benzamide Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C

Isomeric SMILES

CC1(CC2=C(C(=O)C1)SC(=N2)NC(=O)C3=CC(=C(C=C3[N+](=O)[O-])OC)OC)C

InChI

InChI=1S/C18H19N3O6S/c1-18(2)7-10-15(12(22)8-18)28-17(19-10)20-16(23)9-5-13(26-3)14(27-4)6-11(9)21(24)25/h5-6H,7-8H2,1-4H3,(H,19,20,23)