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

Systemtic Name: 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-methylsulfanyl-pyrazole-3-carboxylic acid Openeye Name: 2-[3-[(tert-butoxycarbonylamino)methyl]phenyl]-5-methylsulfanyl-pyrazole-3-carboxylic acid CAS Name: 2-[3-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-5-(methylthio)-3-pyrazolecarboxylic acid IUPAC Name: 2-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]-5-methylsulfanylpyrazole-3-carboxylic acid Traditional Name: 2-[3-[(tert-butoxycarbonylamino)methyl]phenyl]-5-(methylthio)pyrazole-3-carboxylic acid Formula: C17H21N3O4S MolecularWeight: 363.43134

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S/c1-17(2,3)24-16(23)18-10-11-6-5-7-12(8-11)20-13(15(21)22)9-14(19-20)25-4/h5-9H,10H2,1-4H3,(H,18,23)(H,21,22)