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

Systemtic Name: methyl 2-[2-(2-ethanoylsulfanylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C14H13N3O6S2 MolecularWeight: 383.39952

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

CC(=O)SCC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C14H13N3O6S2/c1-8(18)24-7-12(19)15-14-16(6-13(20)23-2)10-4-3-9(17(21)22)5-11(10)25-14/h3-5H,6-7H2,1-2H3