(2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-triethoxybenzoate

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-triethoxybenzoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C27H34N2O5S MolecularWeight: 498.63426

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OC2=C(C(=NN2C(C)(C)C)C)SC3=CC=CC=C3

InChI

InChI=1S/C27H34N2O5S/c1-8-31-21-16-19(17-22(32-9-2)23(21)33-10-3)26(30)34-25-24(35-20-14-12-11-13-15-20)18(4)28-29(25)27(5,6)7/h11-17H,8-10H2,1-7H3