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

Systemtic Name: (2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Openeye Name: (2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide CAS Name: (2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide IUPAC Name: (2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butanamide Traditional Name: (2S)-2-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)butyramide Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC[C@H](C)C(=O)NC1=NC2=C(S1)C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O3S/c1-3-7(2)11(16)14-12-13-9-5-4-8(15(17)18)6-10(9)19-12/h4-7H,3H2,1-2H3,(H,13,14,16)/t7-/m0/s1