[5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-ethoxyphenyl)sulfanylethanoate

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-ethoxyphenyl)sulfanylethanoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-(4-ethoxyphenyl)sulfanylacetate CAS Name: 2-[(4-ethoxyphenyl)thio]acetic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(4-ethoxyphenyl)sulfanylacetate Traditional Name: 2-(p-phenetylthio)acetic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C21H20FNO4S MolecularWeight: 401.451203

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)SCC(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=C(C=C1)SCC(=O)OCC2=NOC(=C2C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO4S/c1-3-25-17-8-10-18(11-9-17)28-13-20(24)26-12-19-14(2)21(27-23-19)15-4-6-16(22)7-5-15/h4-11H,3,12-13H2,1-2H3