ethyl 3-(2-ethanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate

Systemtic Name: ethyl 3-(2-ethanoylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Openeye Name: ethyl 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate CAS Name: 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propanoic acid ethyl ester IUPAC Name: ethyl 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propanoate Traditional Name: 3-(2-acetylimino-6-nitro-1,3-benzothiazol-3-yl)propionic acid ethyl ester Formula: C14H15N3O5S MolecularWeight: 337.351

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C

InChI

InChI=1S/C14H15N3O5S/c1-3-22-13(19)6-7-16-11-5-4-10(17(20)21)8-12(11)23-14(16)15-9(2)18/h4-5,8H,3,6-7H2,1-2H3