methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[[4-(methylthio)anilino]-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(4-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-[[4-(methylthio)phenyl]carbamoyl]phenyl]pyrazol-4-yl]propionic acid methyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC)C)CCC(=O)OC

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)SC)C)CCC(=O)OC

InChI

InChI=1S/C23H25N3O3S/c1-15-21(13-14-22(27)29-3)16(2)26(25-15)19-9-5-17(6-10-19)23(28)24-18-7-11-20(30-4)12-8-18/h5-12H,13-14H2,1-4H3,(H,24,28)