dimethyl 3-[4-[(5-methylsulfonylthiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate

Systemtic Name: dimethyl 3-[4-[(5-methylsulfonylthiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-methylsulfonylthiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(5-methylsulfonyl-2-thiophenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-methylsulfonylthiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(5-mesylthiophene-2-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H19N3O7S2 MolecularWeight: 429.46796

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=C(S2)S(=O)(=O)C

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=C(S2)S(=O)(=O)C

InChI

InChI=1S/C16H19N3O7S2/c1-25-13(20)6-11(7-14(21)26-2)19-9-10(8-17-19)18-16(22)12-4-5-15(27-12)28(3,23)24/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,22)