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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-6-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-6-yl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-6-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H12N4O5S2 MolecularWeight: 428.44168

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H12N4O5S2/c1-27-16(23)8-21-13-5-3-11(22(25)26)7-15(13)29-18(21)20-17(24)10-2-4-12-14(6-10)28-9-19-12/h2-7,9H,8H2,1H3