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

Systemtic Name: dimethyl 3-[4-[(2-ethylsulfanylpyridin-3-yl)carbonylamino]pyrazol-1-yl]pentanedioate Openeye Name: dimethyl 3-[4-[(2-ethylsulfanylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate CAS Name: 3-[4-[[[2-(ethylthio)-3-pyridinyl]-oxomethyl]amino]-1-pyrazolyl]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 3-[4-[(2-ethylsulfanylpyridine-3-carbonyl)amino]pyrazol-1-yl]pentanedioate Traditional Name: 3-[4-[[2-(ethylthio)nicotinoyl]amino]pyrazol-1-yl]glutaric acid dimethyl ester Formula: C18H22N4O5S MolecularWeight: 406.45608

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCSC1=C(C=CC=N1)C(=O)NC2=CN(N=C2)C(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C18H22N4O5S/c1-4-28-18-14(6-5-7-19-18)17(25)21-12-10-20-22(11-12)13(8-15(23)26-2)9-16(24)27-3/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,21,25)