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

Systemtic Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,4-dimethoxyphenyl)ethanoate Openeye Name: (2-tert-butyl-5-methyl-4-phenylsulfanyl-pyrazol-3-yl) 2-(3,4-dimethoxyphenyl)acetate CAS Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)-3-pyrazolyl] ester IUPAC Name: (2-tert-butyl-5-methyl-4-phenylsulfanylpyrazol-3-yl) 2-(3,4-dimethoxyphenyl)acetate Traditional Name: 2-(3,4-dimethoxyphenyl)acetic acid [2-tert-butyl-5-methyl-4-(phenylthio)pyrazol-3-yl] ester Formula: C24H28N2O4S MolecularWeight: 440.55512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC(=C(C=C3)OC)OC)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1SC2=CC=CC=C2)OC(=O)CC3=CC(=C(C=C3)OC)OC)C(C)(C)C

InChI

InChI=1S/C24H28N2O4S/c1-16-22(31-18-10-8-7-9-11-18)23(26(25-16)24(2,3)4)30-21(27)15-17-12-13-19(28-5)20(14-17)29-6/h7-14H,15H2,1-6H3