methyl 3-methyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[2-[(3-methylphenyl)methylsulfanyl]ethanoylamino]butanoate Openeye Name: methyl 3-methyl-2-[[2-(m-tolylmethylsulfanyl)acetyl]amino]butanoate CAS Name: 3-methyl-2-[[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoate Traditional Name: 3-methyl-2-[[2-[(3-methylbenzyl)thio]acetyl]amino]butyric acid methyl ester Formula: C16H23NO3S MolecularWeight: 309.42372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)NC(C(C)C)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)NC(C(C)C)C(=O)OC

InChI

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