3-methyl-5-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid

Systemtic Name: 3-methyl-5-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid Openeye Name: 3-methyl-5-(phenylsulfanylmethyl)isoxazole-4-carboxylic acid CAS Name: 3-methyl-5-[(phenylthio)methyl]-4-isoxazolecarboxylic acid IUPAC Name: 3-methyl-5-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid Traditional Name: 3-methyl-5-[(phenylthio)methyl]isoxazole-4-carboxylic acid Formula: C12H11NO3S MolecularWeight: 249.28564

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1C(=O)O)CSC2=CC=CC=C2

Isomeric SMILES

CC1=NOC(=C1C(=O)O)CSC2=CC=CC=C2

InChI

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