4-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanylmethyl]benzoate

Systemtic Name: 4-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanylmethyl]benzoate Openeye Name: 4-[[3-(2,4-dichlorophenyl)isoxazol-5-yl]methylsulfanylmethyl]benzoate CAS Name: 4-[[[3-(2,4-dichlorophenyl)-5-isoxazolyl]methylthio]methyl]benzoate IUPAC Name: 4-[[3-(2,4-dichlorophenyl)-1,2-oxazol-5-yl]methylsulfanylmethyl]benzoate Traditional Name: 4-[[[3-(2,4-dichlorophenyl)isoxazol-5-yl]methylthio]methyl]benzoate Formula: C18H12Cl2NO3S- MolecularWeight: 393.26378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSCC2=CC(=NO2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CSCC2=CC(=NO2)C3=C(C=C(C=C3)Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C18H13Cl2NO3S/c19-13-5-6-15(16(20)7-13)17-8-14(24-21-17)10-25-9-11-1-3-12(4-2-11)18(22)23/h1-8H,9-10H2,(H,22,23)/p-1