methyl 2-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: methyl 2-[(2-chloro-5-iodo-benzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2-chloro-5-iodophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-5-iodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2-chloro-5-iodo-benzoyl)amino]-1,3-benzothiazole-6-carboxylic acid methyl ester Formula: C16H10ClIN2O3S MolecularWeight: 472.68467

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClIN2O3S/c1-23-15(22)8-2-5-12-13(6-8)24-16(19-12)20-14(21)10-7-9(18)3-4-11(10)17/h2-7H,1H3,(H,19,20,21)