methyl 2-(2-butylsulfanylethanoylamino)-4-methyl-pentanoate

Systemtic Name: methyl 2-(2-butylsulfanylethanoylamino)-4-methyl-pentanoate Openeye Name: methyl 2-[(2-butylsulfanylacetyl)amino]-4-methyl-pentanoate CAS Name: 2-[[2-(butylthio)-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[(2-butylsulfanylacetyl)amino]-4-methylpentanoate Traditional Name: 2-[[2-(butylthio)acetyl]amino]-4-methyl-valeric acid methyl ester Formula: C13H25NO3S MolecularWeight: 275.4075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25NO3S/c1-5-6-7-18-9-12(15)14-11(8-10(2)3)13(16)17-4/h10-11H,5-9H2,1-4H3,(H,14,15)