ethyl 2-[4-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[4-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazol-1-yl]acetate CAS Name: 2-[4-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]acetate Traditional Name: 2-[4-[(E)-[4-(acetylthio)-3-piperidylidene]methyl]pyrazol-1-yl]acetic acid ethyl ester Formula: C15H21N3O3S MolecularWeight: 323.41054

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=C(C=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCOC(=O)CN1C=C(C=N1)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C15H21N3O3S/c1-3-21-15(20)10-18-9-12(7-17-18)6-13-8-16-5-4-14(13)22-11(2)19/h6-7,9,14,16H,3-5,8,10H2,1-2H3/b13-6+