methyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-methylsulfanyl-pyrazole-3-carboxylate

Systemtic Name: methyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-methylsulfanyl-pyrazole-3-carboxylate Openeye Name: methyl 2-[3-[(tert-butoxycarbonylamino)methyl]phenyl]-5-methylsulfanyl-pyrazole-3-carboxylate CAS Name: 2-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-5-(methylthio)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-methylsulfanylpyrazole-3-carboxylate Traditional Name: 2-[3-[(tert-butoxycarbonylamino)methyl]phenyl]-5-(methylthio)pyrazole-3-carboxylic acid methyl ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)SC)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC(=CC=C1)N2C(=CC(=N2)SC)C(=O)OC

InChI

InChI=1S/C18H23N3O4S/c1-18(2,3)25-17(23)19-11-12-7-6-8-13(9-12)21-14(16(22)24-4)10-15(20-21)26-5/h6-10H,11H2,1-5H3,(H,19,23)