(4-pyrazol-1-ylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H19N3O3S MolecularWeight: 357.42676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C18H19N3O3S/c1-13-17(14(2)24-20-13)11-25-12-18(22)23-10-15-4-6-16(7-5-15)21-9-3-8-19-21/h3-9H,10-12H2,1-2H3