[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxidanylidene-ethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxo-ethyl] 2-(2-furylmethylsulfanyl)benzoate CAS Name: 2-(2-furanylmethylthio)benzoic acid [2-[2-(1-cyclohexenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] 2-(furan-2-ylmethylsulfanyl)benzoate Traditional Name: 2-(2-furfurylthio)benzoic acid [2-[2-(cyclohexen-1-yl)ethylamino]-2-keto-ethyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)COC(=O)C2=CC=CC=C2SCC3=CC=CO3

InChI

InChI=1S/C22H25NO4S/c24-21(23-13-12-17-7-2-1-3-8-17)15-27-22(25)19-10-4-5-11-20(19)28-16-18-9-6-14-26-18/h4-7,9-11,14H,1-3,8,12-13,15-16H2,(H,23,24)