(4-pyrazol-1-ylphenyl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2,4-dichlorophenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2,4-dichlorophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 2-[(2,4-dichlorobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2,4-dichlorobenzoyl)amino]-4-(methylthio)butyric acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H21Cl2N3O3S MolecularWeight: 478.39144

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CSCCC(C(=O)OCC1=CC=C(C=C1)N2C=CC=N2)NC(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C22H21Cl2N3O3S/c1-31-12-9-20(26-21(28)18-8-5-16(23)13-19(18)24)22(29)30-14-15-3-6-17(7-4-15)27-11-2-10-25-27/h2-8,10-11,13,20H,9,12,14H2,1H3,(H,26,28)