pyridin-2-ylsulfanyl (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-methylcyclohexyl)oxyimino-ethanoate

Systemtic Name: pyridin-2-ylsulfanyl (2Z)-2-(2-azanyl-1,3-thiazol-4-yl)-2-(4-methylcyclohexyl)oxyimino-ethanoate Openeye Name: 2-pyridylsulfanyl (2Z)-2-(2-aminothiazol-4-yl)-2-(4-methylcyclohexoxy)imino-acetate CAS Name: (2Z)-2-(2-amino-4-thiazolyl)-2-(4-methylcyclohexyl)oxyiminoacetic acid (2-pyridinylthio) ester IUPAC Name: pyridin-2-ylsulfanyl (2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(4-methylcyclohexyl)oxyiminoacetate Traditional Name: (2Z)-2-(2-aminothiazol-4-yl)-2-(4-methylcyclohexyl)oximino-acetic acid (2-pyridylthio) ester Formula: C17H20N4O3S2 MolecularWeight: 392.4957

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)ON=C(C2=CSC(=N2)N)C(=O)OSC3=CC=CC=N3

Isomeric SMILES

CC1CCC(CC1)O/N=C(/C2=CSC(=N2)N)\C(=O)OSC3=CC=CC=N3

InChI

InChI=1S/C17H20N4O3S2/c1-11-5-7-12(8-6-11)23-21-15(13-10-25-17(18)20-13)16(22)24-26-14-4-2-3-9-19-14/h2-4,9-12H,5-8H2,1H3,(H2,18,20)/b21-15-