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

Systemtic Name: ethyl 2-[2-(2-naphthalen-1-ylethanoylimino)-5-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[2-[2-(1-naphthyl)acetyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(1-naphthalenyl)-1-oxoethyl]imino-5-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(2-naphthalen-1-ylacetyl)imino-5-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(1-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=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC(=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

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