methyl 2-[2-(5-nitrothiophen-2-yl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(5-nitrothiophen-2-yl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(5-nitrothiophene-2-carbonyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-[(5-nitro-2-thiophenyl)-oxomethyl]imino-3-benzo[g][1,3]benzothiazolyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(5-nitrothiophene-2-carbonyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-[2-(5-nitrothiophene-2-carbonyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetic acid methyl ester Formula: C19H13N3O5S2 MolecularWeight: 427.45362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CN1C2=C(C3=CC=CC=C3C=C2)SC1=NC(=O)C4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C19H13N3O5S2/c1-27-16(23)10-21-13-7-6-11-4-2-3-5-12(11)17(13)29-19(21)20-18(24)14-8-9-15(28-14)22(25)26/h2-9H,10H2,1H3