methyl 2-[2-(2-methoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2-methoxyphenyl)carbonylimino-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2-methoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2-methoxyphenyl)-oxomethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2-methoxybenzoyl)imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-(6-nitro-2-o-anisoylimino-1,3-benzothiazol-3-yl)acetic acid methyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

Isomeric SMILES

COC1=CC=CC=C1C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC

InChI

InChI=1S/C18H15N3O6S/c1-26-14-6-4-3-5-12(14)17(23)19-18-20(10-16(22)27-2)13-8-7-11(21(24)25)9-15(13)28-18/h3-9H,10H2,1-2H3