methyl 2-(2-ethylhexylcarbamoylamino)-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-(2-ethylhexylcarbamoylamino)-4-methylsulfanyl-butanoate Openeye Name: methyl 2-(2-ethylhexylcarbamoylamino)-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-ethylhexylamino)-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-(2-ethylhexylcarbamoylamino)-4-methylsulfanylbutanoate Traditional Name: 2-(2-ethylhexylcarbamoylamino)-4-(methylthio)butyric acid methyl ester Formula: C15H30N2O3S MolecularWeight: 318.4753

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CNC(=O)NC(CCSC)C(=O)OC

Isomeric SMILES

CCCCC(CC)CNC(=O)NC(CCSC)C(=O)OC

InChI

InChI=1S/C15H30N2O3S/c1-5-7-8-12(6-2)11-16-15(19)17-13(9-10-21-4)14(18)20-3/h12-13H,5-11H2,1-4H3,(H2,16,17,19)