(4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-iodanylbenzoate

Systemtic Name: (4-oxidanylidenepyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-iodanylbenzoate Openeye Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-iodobenzoate CAS Name: 4-iodobenzoic acid (4-oxo-2-pyrimido[2,1-b][1,3]benzothiazolyl)methyl ester IUPAC Name: (4-oxopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl 4-iodobenzoate Traditional Name: 4-iodobenzoic acid (4-ketopyrimido[2,1-b][1,3]benzothiazol-2-yl)methyl ester Formula: C18H11IN2O3S MolecularWeight: 462.26101

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC=C(C=C4)I

Isomeric SMILES

C1=CC=C2C(=C1)N3C(=O)C=C(N=C3S2)COC(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C18H11IN2O3S/c19-12-7-5-11(6-8-12)17(23)24-10-13-9-16(22)21-14-3-1-2-4-15(14)25-18(21)20-13/h1-9H,10H2