[2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-oxidanylidene-cyclohexen-1-yl] pentanoate

Systemtic Name: [2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-oxidanylidene-cyclohexen-1-yl] pentanoate Openeye Name: [2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-oxo-cyclohexen-1-yl] pentanoate CAS Name: pentanoic acid [2-[(1E)-1-ethoxyiminobutyl]-5-[2-(ethylthio)propyl]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-[(E)-N-ethoxy-C-propylcarbonimidoyl]-5-(2-ethylsulfanylpropyl)-3-oxocyclohexen-1-yl] pentanoate Traditional Name: valeric acid [2-[(E)-N-ethoxy-C-propyl-carbonimidoyl]-5-[2-(ethylthio)propyl]-3-keto-cyclohexen-1-yl] ester Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)OC1=C(C(=O)CC(C1)CC(C)SCC)C(=NOCC)CCC

Isomeric SMILES

CCCCC(=O)OC1=C(C(=O)CC(C1)CC(C)SCC)/C(=N/OCC)/CCC

InChI

InChI=1S/C22H37NO4S/c1-6-10-12-21(25)27-20-15-17(13-16(5)28-9-4)14-19(24)22(20)18(11-7-2)23-26-8-3/h16-17H,6-15H2,1-5H3/b23-18+