(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-azanyl-5-iodanyl-benzoate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-azanyl-5-iodanyl-benzoate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 2-amino-5-iodo-benzoate CAS Name: 2-amino-5-iodobenzoic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 2-amino-5-iodobenzoate Traditional Name: 2-amino-5-iodo-benzoic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C15H11IN2O3S MolecularWeight: 426.22891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC(=C3)I)N

Isomeric SMILES

C1=CSC(=C1)C2=CC(=NO2)COC(=O)C3=C(C=CC(=C3)I)N

InChI

InChI=1S/C15H11IN2O3S/c16-9-3-4-12(17)11(6-9)15(19)20-8-10-7-13(21-18-10)14-2-1-5-22-14/h1-7H,8,17H2