[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 5-iodanyl-2-oxidanyl-benzoate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-hydroxy-5-iodo-benzoate CAS Name: 2-hydroxy-5-iodobenzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-hydroxy-5-iodobenzoate Traditional Name: 2-hydroxy-5-iodo-benzoic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C16H11IN2O4S MolecularWeight: 454.23901

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=C(C=CC(=C3)I)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=C(C=CC(=C3)I)O

InChI

InChI=1S/C16H11IN2O4S/c17-9-5-6-12(20)10(7-9)15(22)23-8-14(21)19-16-18-11-3-1-2-4-13(11)24-16/h1-7,20H,8H2,(H,18,19,21)