4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: 4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate Openeye Name: 4-[(3-methylisoxazol-5-yl)methylsulfanyl]benzoate CAS Name: 4-[(3-methyl-5-isoxazolyl)methylthio]benzoate IUPAC Name: 4-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]benzoate Traditional Name: 4-[(3-methylisoxazol-5-yl)methylthio]benzoate Formula: C12H10NO3S- MolecularWeight: 248.2777

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)CSC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C12H11NO3S/c1-8-6-10(16-13-8)7-17-11-4-2-9(3-5-11)12(14)15/h2-6H,7H2,1H3,(H,14,15)/p-1