ethyl 4-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanoate

Systemtic Name: ethyl 4-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanoate Openeye Name: ethyl 4-[3-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazol-1-yl]butanoate CAS Name: 4-[3-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolyl]butanoic acid ethyl ester IUPAC Name: ethyl 4-[3-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanoate Traditional Name: 4-[3-[(E)-[4-(acetylthio)-3-piperidylidene]methyl]pyrazol-1-yl]butyric acid ethyl ester Formula: C17H25N3O3S MolecularWeight: 351.4637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCN1C=CC(=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCOC(=O)CCCN1C=CC(=N1)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C17H25N3O3S/c1-3-23-17(22)5-4-9-20-10-7-15(19-20)11-14-12-18-8-6-16(14)24-13(2)21/h7,10-11,16,18H,3-6,8-9,12H2,1-2H3/b14-11+