(4-pyrazol-1-ylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H18N4O4S MolecularWeight: 386.42492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O4S/c1-13-9-16(21-26-13)20-17(23)11-27-12-18(24)25-10-14-3-5-15(6-4-14)22-8-2-7-19-22/h2-9H,10-12H2,1H3,(H,20,21,23)