methyl 2-[2-[2-(2,4-dimethylphenyl)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(2,4-dimethylphenyl)ethanoylimino]-6-nitro-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(2,4-dimethylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(2,4-dimethylphenyl)-1-oxoethyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(2,4-dimethylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-[2-(2,4-dimethylphenyl)acetyl]imino-6-nitro-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H19N3O5S MolecularWeight: 413.44696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CC(=O)OC)C

InChI

InChI=1S/C20H19N3O5S/c1-12-4-5-14(13(2)8-12)9-18(24)21-20-22(11-19(25)28-3)16-7-6-15(23(26)27)10-17(16)29-20/h4-8,10H,9,11H2,1-3H3