ethyl 2-[2-(2-naphthalen-2-ylethanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[2-(2-naphthalen-2-ylethanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(2-naphthyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(2-naphthalenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-naphthalen-2-ylacetyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(2-naphthyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H19N3O5S/c1-2-31-22(28)14-25-19-13-18(26(29)30)9-10-20(19)32-23(25)24-21(27)12-15-7-8-16-5-3-4-6-17(16)11-15/h3-11,13H,2,12,14H2,1H3