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

Systemtic Name: methyl 3-[3,5-dimethyl-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Openeye Name: methyl 3-[3,5-dimethyl-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate CAS Name: 3-[3,5-dimethyl-1-[4-[[3-(methylthio)anilino]-oxomethyl]phenyl]-4-pyrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-[3,5-dimethyl-1-[4-[(3-methylsulfanylphenyl)carbamoyl]phenyl]pyrazol-4-yl]propanoate Traditional Name: 3-[3,5-dimethyl-1-[4-[[3-(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(=CC=C3)SC)C)CCC(=O)OC

Isomeric SMILES

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

InChI

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