diethyl 2-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanedioate

Systemtic Name: diethyl 2-[3-[(E)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanedioate Openeye Name: diethyl 2-[3-[(E)-(4-acetylsulfanyl-3-piperidylidene)methyl]pyrazol-1-yl]butanedioate CAS Name: 2-[3-[(E)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-pyrazolyl]butanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-[(E)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]pyrazol-1-yl]butanedioate Traditional Name: 2-[3-[(E)-[4-(acetylthio)-3-piperidylidene]methyl]pyrazol-1-yl]succinic acid diethyl ester Formula: C19H27N3O5S MolecularWeight: 409.49978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C(=O)OCC)N1C=CC(=N1)C=C2CNCCC2SC(=O)C

Isomeric SMILES

CCOC(=O)CC(C(=O)OCC)N1C=CC(=N1)/C=C/2\CNCCC2SC(=O)C

InChI

InChI=1S/C19H27N3O5S/c1-4-26-18(24)11-16(19(25)27-5-2)22-9-7-15(21-22)10-14-12-20-8-6-17(14)28-13(3)23/h7,9-10,16-17,20H,4-6,8,11-12H2,1-3H3/b14-10+