tert-butyl 2-[(Z)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]imidazole-1-carboxylate

Systemtic Name: tert-butyl 2-[(Z)-(4-ethanoylsulfanylpiperidin-3-ylidene)methyl]imidazole-1-carboxylate Openeye Name: tert-butyl 2-[(Z)-(4-acetylsulfanyl-3-piperidylidene)methyl]imidazole-1-carboxylate CAS Name: 2-[(Z)-[4-(acetylthio)-3-piperidinylidene]methyl]-1-imidazolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(Z)-(4-acetylsulfanylpiperidin-3-ylidene)methyl]imidazole-1-carboxylate Traditional Name: 2-[(Z)-[4-(acetylthio)-3-piperidylidene]methyl]imidazole-1-carboxylic acid tert-butyl ester Formula: C16H23N3O3S MolecularWeight: 337.43712

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CCNCC1=CC2=NC=CN2C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)SC\1CCNC/C1=C/C2=NC=CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C16H23N3O3S/c1-11(20)23-13-5-6-17-10-12(13)9-14-18-7-8-19(14)15(21)22-16(2,3)4/h7-9,13,17H,5-6,10H2,1-4H3/b12-9-