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

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(3-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(3-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-(3-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C24H20N2O6S2 MolecularWeight: 496.5554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C24H20N2O6S2/c1-31-22(27)15-26-20-12-11-19(34(2,29)30)14-21(20)33-24(26)25-23(28)16-7-6-10-18(13-16)32-17-8-4-3-5-9-17/h3-14H,15H2,1-2H3