methyl 2-[2-[2-(4-methoxy-3-methyl-phenyl)ethanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-[2-(4-methoxy-3-methyl-phenyl)ethanoylimino]-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(4-methoxy-3-methyl-phenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[2-(4-methoxy-3-methylphenyl)-1-oxoethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(4-methoxy-3-methylphenyl)acetyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[2-(4-methoxy-3-methyl-phenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H22N2O6S2 MolecularWeight: 462.53918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC)OC

InChI

InChI=1S/C21H22N2O6S2/c1-13-9-14(5-8-17(13)28-2)10-19(24)22-21-23(12-20(25)29-3)16-7-6-15(31(4,26)27)11-18(16)30-21/h5-9,11H,10,12H2,1-4H3