ethyl 2-[2-(2-nitrophenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-nitrophenyl)carbonyliminobenzo[g][1,3]benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-(2-nitrobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-nitrophenyl)-oxomethyl]imino-3-benzo[g][1,3]benzothiazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-nitrobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-nitrobenzoyl)iminobenzo[g][1,3]benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5S/c1-2-30-19(26)13-24-18-12-11-14-7-3-4-8-15(14)20(18)31-22(24)23-21(27)16-9-5-6-10-17(16)25(28)29/h3-12H,2,13H2,1H3