(5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-olate

Systemtic Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-olate Openeye Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-5-(2-thienyl)cyclohexen-1-olate CAS Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-5-thiophen-2-yl-1-cyclohexenolate IUPAC Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-oxo-5-thiophen-2-ylcyclohexen-1-olate Traditional Name: (5R)-2-[2-(1H-imidazol-5-yl)ethyliminomethyl]-3-keto-5-(2-thienyl)cyclohexen-1-olate Formula: C16H16N3O2S- MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)C(=C1[O-])C=NCCC2=CN=CN2)C3=CC=CS3

Isomeric SMILES

C1[C@H](CC(=O)C(=C1[O-])C=NCCC2=CN=CN2)C3=CC=CS3

InChI

InChI=1S/C16H17N3O2S/c20-14-6-11(16-2-1-5-22-16)7-15(21)13(14)9-17-4-3-12-8-18-10-19-12/h1-2,5,8-11,20H,3-4,6-7H2,(H,18,19)/p-1/t11-/m1/s1