ethyl 2-(2-naphthalen-2-ylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate

Systemtic Name: ethyl 2-(2-naphthalen-2-ylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[2-(naphthalene-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-naphthalenyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(naphthalene-2-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-naphthoylimino)-6-nitro-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(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC4=CC=CC=C4C=C3

InChI

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