methyl 2-[2-(2,6-dimethoxyphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(2,6-dimethoxyphenyl)carbonylimino-6-methylsulfonyl-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[2-(2,6-dimethoxybenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[2-[(2,6-dimethoxyphenyl)-oxomethyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(2,6-dimethoxybenzoyl)imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2,6-dimethoxybenzoyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H20N2O7S2 MolecularWeight: 464.512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)C(=O)N=C2N(C3=C(S2)C=C(C=C3)S(=O)(=O)C)CC(=O)OC

InChI

InChI=1S/C20H20N2O7S2/c1-27-14-6-5-7-15(28-2)18(14)19(24)21-20-22(11-17(23)29-3)13-9-8-12(31(4,25)26)10-16(13)30-20/h5-10H,11H2,1-4H3