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

Systemtic Name: 4-[3-(2-chlorophenyl)sulfanylpropanoyl-methyl-amino]butanoic acid Openeye Name: 4-[3-(2-chlorophenyl)sulfanylpropanoyl-methyl-amino]butanoic acid CAS Name: 4-[[3-[(2-chlorophenyl)thio]-1-oxopropyl]-methylamino]butanoic acid IUPAC Name: 4-[3-(2-chlorophenyl)sulfanylpropanoyl-methylamino]butanoic acid Traditional Name: 4-[3-[(2-chlorophenyl)thio]propanoyl-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)CCSC1=CC=CC=C1Cl

Isomeric SMILES

CN(CCCC(=O)O)C(=O)CCSC1=CC=CC=C1Cl

InChI

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