ethyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(acetylthio)-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-acetylsulfanylacetyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(acetylthio)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C15H15N3O6S2 MolecularWeight: 397.4261

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSC(=O)C

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CSC(=O)C

InChI

InChI=1S/C15H15N3O6S2/c1-3-24-14(21)7-17-11-5-4-10(18(22)23)6-12(11)26-15(17)16-13(20)8-25-9(2)19/h4-6H,3,7-8H2,1-2H3