3-(aminomethyl)-4-[2-(2,4-dichlorophenyl)ethylsulfanyl]butanoic acid

Systemtic Name: 3-(aminomethyl)-4-[2-(2,4-dichlorophenyl)ethylsulfanyl]butanoic acid Openeye Name: 3-(aminomethyl)-4-[2-(2,4-dichlorophenyl)ethylsulfanyl]butanoic acid CAS Name: 3-(aminomethyl)-4-[2-(2,4-dichlorophenyl)ethylthio]butanoic acid IUPAC Name: 3-(aminomethyl)-4-[2-(2,4-dichlorophenyl)ethylsulfanyl]butanoic acid Traditional Name: 3-(aminomethyl)-4-[2-(2,4-dichlorophenyl)ethylthio]butyric acid Formula: C13H17Cl2NO2S MolecularWeight: 322.25058

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)Cl)CCSCC(CC(=O)O)CN

Isomeric SMILES

C1=CC(=C(C=C1Cl)Cl)CCSCC(CC(=O)O)CN

InChI

InChI=1S/C13H17Cl2NO2S/c14-11-2-1-10(12(15)6-11)3-4-19-8-9(7-16)5-13(17)18/h1-2,6,9H,3-5,7-8,16H2,(H,17,18)