methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylsulfanyl-butanoate CAS Name: 2-[[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoate Traditional Name: 2-[2-(cyclohexen-1-yl)ethylcarbamoylamino]-4-(methylthio)butyric acid methyl ester Formula: C15H26N2O3S MolecularWeight: 314.44354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)NC(=O)NCCC1=CCCCC1

Isomeric SMILES

COC(=O)C(CCSC)NC(=O)NCCC1=CCCCC1

InChI

InChI=1S/C15H26N2O3S/c1-20-14(18)13(9-11-21-2)17-15(19)16-10-8-12-6-4-3-5-7-12/h6,13H,3-5,7-11H2,1-2H3,(H2,16,17,19)