ethyl 4-[[3-(3-methylthiophen-2-yl)carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate

Systemtic Name: ethyl 4-[[3-(3-methylthiophen-2-yl)carbonylpiperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Openeye Name: ethyl 4-[[3-(3-methylthiophene-2-carbonyl)-1-piperidyl]methyl]-1H-pyrazole-5-carboxylate CAS Name: 4-[[3-[(3-methyl-2-thiophenyl)-oxomethyl]-1-piperidinyl]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[[3-(3-methylthiophene-2-carbonyl)piperidin-1-yl]methyl]-1H-pyrazole-5-carboxylate Traditional Name: 4-[[3-(3-methylthiophene-2-carbonyl)piperidino]methyl]-1H-pyrazole-5-carboxylic acid ethyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)C(=O)C3=C(C=CS3)C

Isomeric SMILES

CCOC(=O)C1=C(C=NN1)CN2CCCC(C2)C(=O)C3=C(C=CS3)C

InChI

InChI=1S/C18H23N3O3S/c1-3-24-18(23)15-14(9-19-20-15)11-21-7-4-5-13(10-21)16(22)17-12(2)6-8-25-17/h6,8-9,13H,3-5,7,10-11H2,1-2H3,(H,19,20)