[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-iodanylbenzoate

Systemtic Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-iodanylbenzoate Openeye Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-iodobenzoate CAS Name: 2-iodobenzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 2-iodobenzoate Traditional Name: 2-iodobenzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester Formula: C21H14INO2S MolecularWeight: 471.31083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)OC(=O)C4=CC=CC=C4I

InChI

InChI=1S/C21H14INO2S/c1-13-6-11-18-19(12-13)26-20(23-18)14-7-9-15(10-8-14)25-21(24)16-4-2-3-5-17(16)22/h2-12H,1H3