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

Systemtic Name: N-(5,5-dimethyl-7-oxidanylidene-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(5,5-dimethyl-7-oxo-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(7-keto-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=NC3=C(S2)C(=O)CC(C3)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H17N3O4S/c1-9-6-10(4-5-12(9)20(23)24)15(22)19-16-18-11-7-17(2,3)8-13(21)14(11)25-16/h4-6H,7-8H2,1-3H3,(H,18,19,22)