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

Systemtic Name: ethyl 2-[[2,5-bis(iodanyl)phenyl]carbonylamino]-1,3-benzothiazole-6-carboxylate Openeye Name: ethyl 2-[(2,5-diiodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate CAS Name: 2-[[(2,5-diiodophenyl)-oxomethyl]amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2,5-diiodobenzoyl)amino]-1,3-benzothiazole-6-carboxylate Traditional Name: 2-[(2,5-diiodobenzoyl)amino]-1,3-benzothiazole-6-carboxylic acid ethyl ester Formula: C17H12I2N2O3S MolecularWeight: 578.16272

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12I2N2O3S/c1-2-24-16(23)9-3-6-13-14(7-9)25-17(20-13)21-15(22)11-8-10(18)4-5-12(11)19/h3-8H,2H2,1H3,(H,20,21,22)