methyl 5-[[4-[2-(phenylmethylsulfanyl)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[2-(phenylmethylsulfanyl)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[1-oxo-2-(phenylmethylthio)propyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-(2-benzylsulfanylpropanoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[2-(benzylthio)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CN(N=C1)CC2=CC=C(O2)C(=O)OC)SCC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NC1=CN(N=C1)CC2=CC=C(O2)C(=O)OC)SCC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O4S/c1-14(28-13-15-6-4-3-5-7-15)19(24)22-16-10-21-23(11-16)12-17-8-9-18(27-17)20(25)26-2/h3-11,14H,12-13H2,1-2H3,(H,22,24)