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

Systemtic Name: ethyl 2-(2-naphthalen-1-ylcarbonylimino-6-nitro-1,3-benzothiazol-3-yl)ethanoate Openeye Name: ethyl 2-[2-(naphthalene-1-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[1-naphthalenyl(oxo)methyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-(naphthalene-1-carbonylimino)-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(1-naphthoylimino)-6-nitro-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)C3=CC=CC4=CC=CC=C43

InChI

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