[2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxo-ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-2-keto-ethyl] ester Formula: C20H25FN2O4S MolecularWeight: 408.486903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

Isomeric SMILES

C1CCC(=CC1)CCNC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)F

InChI

InChI=1S/C20H25FN2O4S/c21-16-6-8-17(9-7-16)28-13-11-19(25)27-14-18(24)23-20(26)22-12-10-15-4-2-1-3-5-15/h4,6-9H,1-3,5,10-14H2,(H2,22,23,24,26)