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

Systemtic Name: dimethyl 3-[4-[(5-methylsulfanylthiophen-2-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(5-methylsulfanylthiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[5-(methylthio)-2-thiophenyl]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(5-methylsulfanylthiophene-2-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[5-(methylthio)thiophene-2-carbonyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C16H19N3O5S2 MolecularWeight: 397.46916

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O5S2/c1-23-13(20)6-11(7-14(21)24-2)19-9-10(8-17-19)18-16(22)12-4-5-15(25-3)26-12/h4-5,8-9,11H,6-7H2,1-3H3,(H,18,22)