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

Systemtic Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-iodanylbenzoate Openeye Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-iodobenzoate CAS Name: 3-iodobenzoic acid [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] ester IUPAC Name: [4-(6-methyl-1,3-benzothiazol-2-yl)phenyl] 3-iodobenzoate Traditional Name: 3-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=C4)I

Isomeric SMILES

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

InChI

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