[2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[1-cyclohexenyl(2-methoxyethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-[cyclohexen-1-yl(2-methoxyethyl)amino]-2-keto-ethyl] ester Formula: C19H24N2O6S MolecularWeight: 408.46866

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Descriptors Computed from Structure

Canonical SMILES:

COCCN(C1=CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COCCN(C1=CCCCC1)C(=O)COC(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H24N2O6S/c1-26-11-10-20(15-6-4-3-5-7-15)18(22)13-27-19(23)14-8-9-17(28-2)16(12-14)21(24)25/h6,8-9,12H,3-5,7,10-11,13H2,1-2H3