(2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoate

Systemtic Name: (2-oxidanylidene-2-phenothiazin-10-yl-ethyl) 2-[3,5-bis(iodanyl)-4-oxidanylidene-pyridin-1-yl]ethanoate Openeye Name: (2-oxo-2-phenothiazin-10-yl-ethyl) 2-(3,5-diiodo-4-oxo-1-pyridyl)acetate CAS Name: 2-(3,5-diiodo-4-oxo-1-pyridinyl)acetic acid [2-oxo-2-(10-phenothiazinyl)ethyl] ester IUPAC Name: (2-oxo-2-phenothiazin-10-ylethyl) 2-(3,5-diiodo-4-oxopyridin-1-yl)acetate Traditional Name: 2-(3,5-diiodo-4-keto-1-pyridyl)acetic acid (2-keto-2-phenothiazin-10-yl-ethyl) ester Formula: C21H14I2N2O4S MolecularWeight: 644.2208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CN4C=C(C(=O)C(=C4)I)I

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)COC(=O)CN4C=C(C(=O)C(=C4)I)I

InChI

InChI=1S/C21H14I2N2O4S/c22-13-9-24(10-14(23)21(13)28)11-20(27)29-12-19(26)25-15-5-1-3-7-17(15)30-18-8-4-2-6-16(18)25/h1-10H,11-12H2