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

Systemtic Name: ethyl 3-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]propanoate Openeye Name: ethyl 3-[3-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-[(E)-[4-(acetylthio)-3-piperidylidene]methyl]pyrazol-1-yl]propionic acid ethyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C=CC(=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCOC(=O)CCN1C=CC(=N1)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C16H23N3O3S/c1-3-22-16(21)6-9-19-8-5-14(18-19)10-13-11-17-7-4-15(13)23-12(2)20/h5,8,10,15,17H,3-4,6-7,9,11H2,1-2H3/b13-10+