2-(1,3-benzothiazol-2-yl)-4-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]phenolate

Systemtic Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-chloranyl-5-iodanyl-phenyl)carbonylamino]phenolate Openeye Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-chloro-5-iodo-benzoyl)amino]phenolate CAS Name: 2-(1,3-benzothiazol-2-yl)-4-[[(2-chloro-5-iodophenyl)-oxomethyl]amino]phenolate IUPAC Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-chloro-5-iodobenzoyl)amino]phenolate Traditional Name: 2-(1,3-benzothiazol-2-yl)-4-[(2-chloro-5-iodo-benzoyl)amino]phenolate Formula: C20H11ClIN2O2S- MolecularWeight: 505.73601

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)I)Cl)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=C(C=CC(=C3)NC(=O)C4=C(C=CC(=C4)I)Cl)[O-]

InChI

InChI=1S/C20H12ClIN2O2S/c21-15-7-5-11(22)9-13(15)19(26)23-12-6-8-17(25)14(10-12)20-24-16-3-1-2-4-18(16)27-20/h1-10,25H,(H,23,26)/p-1