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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-ylcarbonylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1,3-benzothiazol-2-yl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazole-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1,3-benzothiazole-2-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=NC4=CC=CC=C4S3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=NC4=CC=CC=C4S3

InChI

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