methyl 2-[6-methylsulfonyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfonyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(4-ketochromene-3-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H16N2O7S2 MolecularWeight: 472.49094

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=COC4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=COC4=CC=CC=C4C3=O

InChI

InChI=1S/C21H16N2O7S2/c1-29-18(24)10-23-15-8-7-12(32(2,27)28)9-17(15)31-21(23)22-20(26)14-11-30-16-6-4-3-5-13(16)19(14)25/h3-9,11H,10H2,1-2H3