N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)-3-oxidanylidene-butanamide

Systemtic Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)-3-oxidanylidene-butanamide Openeye Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)-3-oxo-butanamide CAS Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)-3-oxobutanamide IUPAC Name: N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)-3-oxobutanamide Traditional Name: 3-keto-N-(6-methyl-5-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C12H11N3O4S MolecularWeight: 293.29844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CC(=O)C

Isomeric SMILES

CC1=CC2=C(C=C1[N+](=O)[O-])N=C(S2)NC(=O)CC(=O)C

InChI

InChI=1S/C12H11N3O4S/c1-6-3-10-8(5-9(6)15(18)19)13-12(20-10)14-11(17)4-7(2)16/h3,5H,4H2,1-2H3,(H,13,14,17)