methyl 2-(2-butylsulfanylethanoylamino)-3-methyl-butanoate

Systemtic Name: methyl 2-(2-butylsulfanylethanoylamino)-3-methyl-butanoate Openeye Name: methyl 2-[(2-butylsulfanylacetyl)amino]-3-methyl-butanoate CAS Name: 2-[[2-(butylthio)-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(2-butylsulfanylacetyl)amino]-3-methylbutanoate Traditional Name: 2-[[2-(butylthio)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C12H23NO3S MolecularWeight: 261.38092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSCC(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CCCCSCC(=O)NC(C(C)C)C(=O)OC

InChI

InChI=1S/C12H23NO3S/c1-5-6-7-17-8-10(14)13-11(9(2)3)12(15)16-4/h9,11H,5-8H2,1-4H3,(H,13,14)