methyl 5-[[4-[3-(2-phenylethenylsulfanyl)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate

Systemtic Name: methyl 5-[[4-[3-(2-phenylethenylsulfanyl)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Openeye Name: methyl 5-[[4-(3-styrylsulfanylpropanoylamino)pyrazol-1-yl]methyl]furan-2-carboxylate CAS Name: 5-[[4-[[1-oxo-3-(2-phenylethenylthio)propyl]amino]-1-pyrazolyl]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[[4-[3-(2-phenylethenylsulfanyl)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylate Traditional Name: 5-[[4-[3-(styrylthio)propanoylamino]pyrazol-1-yl]methyl]furan-2-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)CCSC=CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CN2C=C(C=N2)NC(=O)CCSC=CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-27-21(26)19-8-7-18(28-19)15-24-14-17(13-22-24)23-20(25)10-12-29-11-9-16-5-3-2-4-6-16/h2-9,11,13-14H,10,12,15H2,1H3,(H,23,25)