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

Systemtic Name: dimethyl 3-[4-[(5-pyridin-2-ylthiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[[5-(2-pyridyl)thiophene-2-carbonyl]amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[oxo-[5-(2-pyridinyl)-2-thiophenyl]methyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-pyridin-2-ylthiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[5-(2-pyridyl)thiophene-2-carbonyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C20H20N4O5S MolecularWeight: 428.4616

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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)C3=CC=CC=N3

Isomeric SMILES

COC(=O)CC(CC(=O)OC)N1C=C(C=N1)NC(=O)C2=CC=C(S2)C3=CC=CC=N3

InChI

InChI=1S/C20H20N4O5S/c1-28-18(25)9-14(10-19(26)29-2)24-12-13(11-22-24)23-20(27)17-7-6-16(30-17)15-5-3-4-8-21-15/h3-8,11-12,14H,9-10H2,1-2H3,(H,23,27)