ethyl 5-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]pentanoate

Systemtic Name: ethyl 5-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]pentanoate Openeye Name: ethyl 5-[3-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazol-1-yl]pentanoate CAS Name: 5-[3-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolyl]pentanoic acid ethyl ester IUPAC Name: ethyl 5-[3-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]pentanoate Traditional Name: 5-[3-[(E)-[4-(acetylthio)-3-piperidylidene]methyl]pyrazol-1-yl]valeric acid ethyl ester Formula: C18H27N3O3S MolecularWeight: 365.49028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCN1C=CC(=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCOC(=O)CCCCN1C=CC(=N1)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C18H27N3O3S/c1-3-24-18(23)6-4-5-10-21-11-8-16(20-21)12-15-13-19-9-7-17(15)25-14(2)22/h8,11-12,17,19H,3-7,9-10,13H2,1-2H3/b15-12+