3-(3-cyanophenyl)-5-(ethylsulfanylmethyl)-4H-1,2-oxazole-5-carboxylic acid

Systemtic Name: 3-(3-cyanophenyl)-5-(ethylsulfanylmethyl)-4H-1,2-oxazole-5-carboxylic acid Openeye Name: 3-(3-cyanophenyl)-5-(ethylsulfanylmethyl)-4H-isoxazole-5-carboxylic acid CAS Name: 3-(3-cyanophenyl)-5-[(ethylthio)methyl]-4H-isoxazole-5-carboxylic acid IUPAC Name: 3-(3-cyanophenyl)-5-(ethylsulfanylmethyl)-4H-1,2-oxazole-5-carboxylic acid Traditional Name: 3-(3-cyanophenyl)-5-[(ethylthio)methyl]-2-isoxazoline-5-carboxylic acid Formula: C14H14N2O3S MolecularWeight: 290.33756

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CCSCC1(CC(=NO1)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C14H14N2O3S/c1-2-20-9-14(13(17)18)7-12(16-19-14)11-5-3-4-10(6-11)8-15/h3-6H,2,7,9H2,1H3,(H,17,18)