methyl 2-[(3-iodanylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(3-iodanylphenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(3-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(3-iodophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(3-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(3-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H11IN2O3S MolecularWeight: 438.23961

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)I

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C3=CC(=CC=C3)I

InChI

InChI=1S/C16H11IN2O3S/c1-22-15(21)10-5-6-12-13(8-10)23-16(18-12)19-14(20)9-3-2-4-11(17)7-9/h2-8H,1H3,(H,18,19,20)