2-[4-[5-butoxy-3-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-pyrazol-1-yl]phenyl]sulfanyl-2-methyl-propanoic acid

Systemtic Name: 2-[4-[5-butoxy-3-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-pyrazol-1-yl]phenyl]sulfanyl-2-methyl-propanoic acid Openeye Name: 2-[4-[5-butoxy-3-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-pyrazol-1-yl]phenyl]sulfanyl-2-methyl-propanoic acid CAS Name: 2-[[4-[5-butoxy-3-[(2,4-dimethylanilino)-oxomethyl]-4-methyl-1-pyrazolyl]phenyl]thio]-2-methylpropanoic acid IUPAC Name: 2-[4-[5-butoxy-3-[(2,4-dimethylphenyl)carbamoyl]-4-methylpyrazol-1-yl]phenyl]sulfanyl-2-methylpropanoic acid Traditional Name: 2-[[4-[5-butoxy-3-[(2,4-dimethylphenyl)carbamoyl]-4-methyl-pyrazol-1-yl]phenyl]thio]-2-methyl-propionic acid Formula: C27H33N3O4S MolecularWeight: 495.63362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=NN1C2=CC=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=C(C=C(C=C3)C)C)C

Isomeric SMILES

CCCCOC1=C(C(=NN1C2=CC=C(C=C2)SC(C)(C)C(=O)O)C(=O)NC3=C(C=C(C=C3)C)C)C

InChI

InChI=1S/C27H33N3O4S/c1-7-8-15-34-25-19(4)23(24(31)28-22-14-9-17(2)16-18(22)3)29-30(25)20-10-12-21(13-11-20)35-27(5,6)26(32)33/h9-14,16H,7-8,15H2,1-6H3,(H,28,31)(H,32,33)