dimethyl 3-[4-[2-(2,4-dichlorophenyl)sulfanylethanoylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[2-(2,4-dichlorophenyl)sulfanylethanoylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[2-(2,4-dichlorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[2-[(2,4-dichlorophenyl)thio]-1-oxoethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[[2-(2,4-dichlorophenyl)sulfanylacetyl]amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[2-[(2,4-dichlorophenyl)thio]acetyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H19Cl2N3O5S MolecularWeight: 460.33156

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CSC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)CSC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H19Cl2N3O5S/c1-27-17(25)6-13(7-18(26)28-2)23-9-12(8-21-23)22-16(24)10-29-15-4-3-11(19)5-14(15)20/h3-5,8-9,13H,6-7,10H2,1-2H3,(H,22,24)