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

Systemtic Name: dimethyl 3-[4-[(5-bromanylthiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-bromothiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[(5-bromo-2-thiophenyl)-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-bromothiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[(5-bromothiophene-2-carbonyl)amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C15H16BrN3O5S MolecularWeight: 430.27364

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrN3O5S/c1-23-13(20)5-10(6-14(21)24-2)19-8-9(7-17-19)18-15(22)11-3-4-12(16)25-11/h3-4,7-8,10H,5-6H2,1-2H3,(H,18,22)