methyl 4-methyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]pentanoate

Systemtic Name: methyl 4-methyl-2-[2-(2-methylphenyl)sulfanylethanoylamino]pentanoate Openeye Name: methyl 4-methyl-2-[[2-(o-tolylsulfanyl)acetyl]amino]pentanoate CAS Name: 4-methyl-2-[[2-[(2-methylphenyl)thio]-1-oxoethyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 4-methyl-2-[[2-(2-methylphenyl)sulfanylacetyl]amino]pentanoate Traditional Name: 4-methyl-2-[[2-(o-tolylthio)acetyl]amino]valeric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NC(CC(C)C)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NC(CC(C)C)C(=O)OC

InChI

InChI=1S/C16H23NO3S/c1-11(2)9-13(16(19)20-4)17-15(18)10-21-14-8-6-5-7-12(14)3/h5-8,11,13H,9-10H2,1-4H3,(H,17,18)