ethyl 2-[1-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[1-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-1-oxidanylidene-propan-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-1-methyl-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[1-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-1-oxopropan-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetate Traditional Name: 2-[[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-1-methyl-ethyl]thio]acetic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CSC(C)C(=O)NC1=CC(=NN1C2=CC=CC=C2)C(C)(C)C

InChI

InChI=1S/C20H27N3O3S/c1-6-26-18(24)13-27-14(2)19(25)21-17-12-16(20(3,4)5)22-23(17)15-10-8-7-9-11-15/h7-12,14H,6,13H2,1-5H3,(H,21,25)