[2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate

Systemtic Name: [2-[(2-iodanylphenyl)amino]-2-oxidanylidene-ethyl] 1,3-benzothiazole-6-carboxylate Openeye Name: [2-(2-iodoanilino)-2-oxo-ethyl] 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-iodoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-iodoanilino)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid [2-(2-iodoanilino)-2-keto-ethyl] ester Formula: C16H11IN2O3S MolecularWeight: 438.23961

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)I

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)COC(=O)C2=CC3=C(C=C2)N=CS3)I

InChI

InChI=1S/C16H11IN2O3S/c17-11-3-1-2-4-12(11)19-15(20)8-22-16(21)10-5-6-13-14(7-10)23-9-18-13/h1-7,9H,8H2,(H,19,20)