methyl 3-[2-(furan-2-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-(furan-2-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-(furan-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-furanyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(furan-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-(2-furoylimino)-6-nitro-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C16H13N3O6S MolecularWeight: 375.35592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CO3

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CO3

InChI

InChI=1S/C16H13N3O6S/c1-24-14(20)6-7-18-11-5-4-10(19(22)23)9-13(11)26-16(18)17-15(21)12-3-2-8-25-12/h2-5,8-9H,6-7H2,1H3