1,3-benzothiazol-2-ylmethyl 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-diiodo-4-oxo-1-pyridyl)acetate CAS Name: 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate Traditional Name: 2-(3,5-diiodo-4-keto-1-pyridyl)acetic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C15H10I2N2O3S MolecularWeight: 552.12544

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)CN3C=C(C(=O)C(=C3)I)I

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)CN3C=C(C(=O)C(=C3)I)I

InChI

InChI=1S/C15H10I2N2O3S/c16-9-5-19(6-10(17)15(9)21)7-14(20)22-8-13-18-11-3-1-2-4-12(11)23-13/h1-6H,7-8H2