(5S)-2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanylidene-cyclohexen-1-olate

Systemtic Name: (5S)-2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-[(2R)-2-ethylsulfanylpropyl]-3-oxidanylidene-cyclohexen-1-olate Openeye Name: (5S)-2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-[(2R)-2-ethylsulfanylpropyl]-3-oxo-cyclohexen-1-olate CAS Name: (5S)-2-[(1E)-1-ethoxyiminobutyl]-5-[(2R)-2-(ethylthio)propyl]-3-oxo-1-cyclohexenolate IUPAC Name: (5S)-2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-[(2R)-2-ethylsulfanylpropyl]-3-oxocyclohexen-1-olate Traditional Name: (5S)-2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-[(2R)-2-(ethylthio)propyl]-3-keto-cyclohexen-1-olate Formula: C17H28NO3S- MolecularWeight: 326.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=NOCC)C1=C(CC(CC1=O)CC(C)SCC)[O-]

Isomeric SMILES

CCC/C(=N\OCC)/C1=C(C[C@@H](CC1=O)C[C@@H](C)SCC)[O-]

InChI

InChI=1S/C17H29NO3S/c1-5-8-14(18-21-6-2)17-15(19)10-13(11-16(17)20)9-12(4)22-7-3/h12-13,19H,5-11H2,1-4H3/p-1/b18-14+/t12-,13+/m1/s1