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

Systemtic Name: ethyl 2-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazol-1-yl]acetate CAS Name: 2-[3-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]acetate Traditional Name: 2-[3-[(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=CC(=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O3S/c1-3-21-15(20)10-18-7-5-13(17-18)8-12-9-16-6-4-14(12)22-11(2)19/h5,7-8,14,16H,3-4,6,9-10H2,1-2H3/b12-8+