methyl 2-[2-(2-naphthalen-1-ylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-naphthalen-1-ylethanoylimino)-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(1-naphthyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(1-naphthalenyl)-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-naphthalen-1-ylacetyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(1-naphthyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O5S/c1-30-21(27)13-24-18-10-9-16(25(28)29)12-19(18)31-22(24)23-20(26)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12H,11,13H2,1H3