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

Systemtic Name: dimethyl 3-[4-[(3-ethoxythiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(3-ethoxythiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(3-ethoxy-2-thiophenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(3-ethoxythiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(3-ethoxythiophene-2-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C17H21N3O6S MolecularWeight: 395.43014

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCOC1=C(SC=C1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C17H21N3O6S/c1-4-26-13-5-6-27-16(13)17(23)19-11-9-18-20(10-11)12(7-14(21)24-2)8-15(22)25-3/h5-6,9-10,12H,4,7-8H2,1-3H3,(H,19,23)