N-[(E)-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylideneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide

Systemtic Name: N-[(E)-(7-methoxy-2-oxidanylidene-1,3-benzoxathiol-5-yl)methylideneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)ethanamide Openeye Name: N-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methyleneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide CAS Name: N-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]-2-(2-methyl-5-nitro-1-imidazolyl)acetamide IUPAC Name: N-[(E)-(7-methoxy-2-oxo-1,3-benzoxathiol-5-yl)methylideneamino]-2-(2-methyl-5-nitroimidazol-1-yl)acetamide Traditional Name: N-[(E)-(2-keto-7-methoxy-1,3-benzoxathiol-5-yl)methyleneamino]-2-(2-methyl-5-nitro-imidazol-1-yl)acetamide Formula: C15H13N5O6S MolecularWeight: 391.35862

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N1CC(=O)NN=CC2=CC(=C3C(=C2)SC(=O)O3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(N1CC(=O)N/N=C/C2=CC(=C3C(=C2)SC(=O)O3)OC)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O6S/c1-8-16-6-13(20(23)24)19(8)7-12(21)18-17-5-9-3-10(25-2)14-11(4-9)27-15(22)26-14/h3-6H,7H2,1-2H3,(H,18,21)/b17-5+