ethyl 4-methyl-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]-3-oxidanylidene-1H-pyrazole-5-carboxylate Openeye Name: ethyl 2-[4-(2-tert-butoxy-1,1-dimethyl-2-oxo-ethyl)sulfanylphenyl]-4-methyl-3-oxo-1H-pyrazole-5-carboxylate CAS Name: 4-methyl-2-[4-[[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]thio]phenyl]-3-oxo-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[4-[2-methyl-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]sulfanylphenyl]-3-oxo-1H-pyrazole-5-carboxylate Traditional Name: 1-[4-[(2-tert-butoxy-2-keto-1,1-dimethyl-ethyl)thio]phenyl]-5-keto-4-methyl-3-pyrazoline-3-carboxylic acid ethyl ester Formula: C21H28N2O5S MolecularWeight: 420.52242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)SC(C)(C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=O)N(N1)C2=CC=C(C=C2)SC(C)(C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H28N2O5S/c1-8-27-18(25)16-13(2)17(24)23(22-16)14-9-11-15(12-10-14)29-21(6,7)19(26)28-20(3,4)5/h9-12,22H,8H2,1-7H3