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

Systemtic Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid [5-(4-fluorophenyl)-4-methyl-3-isoxazolyl]methyl ester IUPAC Name: [5-(4-fluorophenyl)-4-methyl-1,2-oxazol-3-yl]methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid [5-(4-fluorophenyl)-4-methyl-isoxazol-3-yl]methyl ester Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(ON=C1COC(=O)C2=CC=CC=C2SCC(=O)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=C(ON=C1COC(=O)C2=CC=CC=C2SCC(=O)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C21H18FNO4S/c1-13(24)12-28-19-6-4-3-5-17(19)21(25)26-11-18-14(2)20(27-23-18)15-7-9-16(22)10-8-15/h3-10H,11-12H2,1-2H3