ethyl 2-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: ethyl 2-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: ethyl 2-[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[[3,5-dimethyl-1-(4-methylphenyl)-4-pyrazolyl]amino]-2-oxoethyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[[3,5-dimethyl-1-(p-tolyl)pyrazol-4-yl]amino]-2-keto-ethyl]thio]acetic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSCC(=O)NC1=C(N(N=C1C)C2=CC=C(C=C2)C)C

Isomeric SMILES

CCOC(=O)CSCC(=O)NC1=C(N(N=C1C)C2=CC=C(C=C2)C)C

InChI

InChI=1S/C18H23N3O3S/c1-5-24-17(23)11-25-10-16(22)19-18-13(3)20-21(14(18)4)15-8-6-12(2)7-9-15/h6-9H,5,10-11H2,1-4H3,(H,19,22)