methyl 4-methylsulfanyl-2-[[4-[4-(pyridin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]carbonylamino]butanoate

Systemtic Name: methyl 4-methylsulfanyl-2-[[4-[4-(pyridin-3-ylcarbonylamino)pyrazol-1-yl]phenyl]carbonylamino]butanoate Openeye Name: methyl 4-methylsulfanyl-2-[[4-[4-(pyridine-3-carbonylamino)pyrazol-1-yl]benzoyl]amino]butanoate CAS Name: 4-(methylthio)-2-[[oxo-[4-[4-[[oxo(3-pyridinyl)methyl]amino]-1-pyrazolyl]phenyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-[[4-[4-(pyridine-3-carbonylamino)pyrazol-1-yl]benzoyl]amino]butanoate Traditional Name: 4-(methylthio)-2-[[4-(4-nicotinamidopyrazol-1-yl)benzoyl]amino]butyric acid methyl ester Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)N2C=C(C=N2)NC(=O)C3=CN=CC=C3

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)C1=CC=C(C=C1)N2C=C(C=N2)NC(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H23N5O4S/c1-31-22(30)19(9-11-32-2)26-20(28)15-5-7-18(8-6-15)27-14-17(13-24-27)25-21(29)16-4-3-10-23-12-16/h3-8,10,12-14,19H,9,11H2,1-2H3,(H,25,29)(H,26,28)