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

Systemtic Name: 4-[2-[(3-chlorophenyl)methylsulfanyl]ethanoyl-methyl-amino]butanoic acid Openeye Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-methyl-amino]butanoic acid CAS Name: 4-[[2-[(3-chlorophenyl)methylthio]-1-oxoethyl]-methylamino]butanoic acid IUPAC Name: 4-[[2-[(3-chlorophenyl)methylsulfanyl]acetyl]-methylamino]butanoic acid Traditional Name: 4-[[2-[(3-chlorobenzyl)thio]acetyl]-methyl-amino]butyric acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)CSCC1=CC(=CC=C1)Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CSCC1=CC(=CC=C1)Cl

InChI

InChI=1S/C14H18ClNO3S/c1-16(7-3-6-14(18)19)13(17)10-20-9-11-4-2-5-12(15)8-11/h2,4-5,8H,3,6-7,9-10H2,1H3,(H,18,19)