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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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