2-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(3-isoxazolylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(isoxazol-3-ylamino)-2-keto-ethyl]thio]benzoic acid Formula: C12H10N2O4S MolecularWeight: 278.2838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=NOC=C2

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)O)SCC(=O)NC2=NOC=C2

InChI

InChI=1S/C12H10N2O4S/c15-11(13-10-5-6-18-14-10)7-19-9-4-2-1-3-8(9)12(16)17/h1-6H,7H2,(H,16,17)(H,13,14,15)