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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=O)C4=CC=CC=C4O3

InChI

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