methyl 2-[6-nitro-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-nitro-2-[(5-nitro-1-benzothiophen-2-yl)carbonylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-nitro-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-nitro-2-[(5-nitro-1-benzothiophen-2-yl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-nitro-2-(5-nitro-1-benzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-nitro-2-(5-nitrobenzothiophene-2-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H12N4O7S2 MolecularWeight: 472.45118

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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(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H12N4O7S2/c1-30-17(24)9-21-13-4-2-12(23(28)29)8-15(13)32-19(21)20-18(25)16-7-10-6-11(22(26)27)3-5-14(10)31-16/h2-8H,9H2,1H3