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

Systemtic Name: ethyl 2-[6-methylsulfonyl-2-(2-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-methylsulfonyl-2-(2-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-methylsulfonyl-2-(2-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[2-(2-ketochromene-3-carbonyl)imino-6-mesyl-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H18N2O7S2 MolecularWeight: 486.51752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O

Isomeric SMILES

CCOC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC4=CC=CC=C4OC3=O

InChI

InChI=1S/C22H18N2O7S2/c1-3-30-19(25)12-24-16-9-8-14(33(2,28)29)11-18(16)32-22(24)23-20(26)15-10-13-6-4-5-7-17(13)31-21(15)27/h4-11H,3,12H2,1-2H3