dimethyl 3-[4-[(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(3-chloranyl-4-methylsulfonyl-thiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(3-chloro-4-methylsulfonyl-thiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(3-chloro-4-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(3-chloro-4-methylsulfonylthiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(3-chloro-4-mesyl-thiophene-2-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H18ClN3O7S2 MolecularWeight: 463.91302

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=C(C(=CS2)S(=O)(=O)C)Cl

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=C(C(=CS2)S(=O)(=O)C)Cl

InChI

InChI=1S/C16H18ClN3O7S2/c1-26-12(21)4-10(5-13(22)27-2)20-7-9(6-18-20)19-16(23)15-14(17)11(8-28-15)29(3,24)25/h6-8,10H,4-5H2,1-3H3,(H,19,23)