4-[methyl-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]amino]butanoic acid

Systemtic Name: 4-[methyl-[2-[(3-methylphenyl)methylsulfanyl]ethanoyl]amino]butanoic acid Openeye Name: 4-[methyl-[2-(m-tolylmethylsulfanyl)acetyl]amino]butanoic acid CAS Name: 4-[methyl-[2-[(3-methylphenyl)methylthio]-1-oxoethyl]amino]butanoic acid IUPAC Name: 4-[methyl-[2-[(3-methylphenyl)methylsulfanyl]acetyl]amino]butanoic acid Traditional Name: 4-[methyl-[2-[(3-methylbenzyl)thio]acetyl]amino]butyric acid Formula: C15H21NO3S MolecularWeight: 295.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N(C)CCCC(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N(C)CCCC(=O)O

InChI

InChI=1S/C15H21NO3S/c1-12-5-3-6-13(9-12)10-20-11-14(17)16(2)8-4-7-15(18)19/h3,5-6,9H,4,7-8,10-11H2,1-2H3,(H,18,19)