(5R)-2-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methyl-carbonimidoyl]-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-olate

Systemtic Name: (5R)-2-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methyl-carbonimidoyl]-3-oxidanylidene-5-thiophen-2-yl-cyclohexen-1-olate Openeye Name: (5R)-2-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methyl-carbonimidoyl]-3-oxo-5-(2-thienyl)cyclohexen-1-olate CAS Name: (5R)-2-[1-[2-(1H-imidazol-5-yl)ethylimino]ethyl]-3-oxo-5-thiophen-2-yl-1-cyclohexenolate IUPAC Name: (5R)-2-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methylcarbonimidoyl]-3-oxo-5-thiophen-2-ylcyclohexen-1-olate Traditional Name: (5R)-2-[N-[2-(1H-imidazol-5-yl)ethyl]-C-methyl-carbonimidoyl]-3-keto-5-(2-thienyl)cyclohexen-1-olate Formula: C17H18N3O2S- MolecularWeight: 328.40872

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NCCC1=CN=CN1)C2=C(CC(CC2=O)C3=CC=CS3)[O-]

Isomeric SMILES

CC(=NCCC1=CN=CN1)C2=C(C[C@H](CC2=O)C3=CC=CS3)[O-]

InChI

InChI=1S/C17H19N3O2S/c1-11(19-5-4-13-9-18-10-20-13)17-14(21)7-12(8-15(17)22)16-3-2-6-23-16/h2-3,6,9-10,12,21H,4-5,7-8H2,1H3,(H,18,20)/p-1/t12-/m1/s1