2-[2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-[(5-tert-butyl-2-phenyl-3-pyrazolyl)amino]-2-oxoethyl]thio]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[2-[(5-tert-butyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[2-[(5-tert-butyl-2-phenyl-pyrazol-3-yl)amino]-2-keto-ethyl]thio]thiazol-4-yl]acetic acid Formula: C20H22N4O3S2 MolecularWeight: 430.54368

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC(=CS2)CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C(=C1)NC(=O)CSC2=NC(=CS2)CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C20H22N4O3S2/c1-20(2,3)15-10-16(24(23-15)14-7-5-4-6-8-14)22-17(25)12-29-19-21-13(11-28-19)9-18(26)27/h4-8,10-11H,9,12H2,1-3H3,(H,22,25)(H,26,27)