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

Systemtic Name: 3-(aminomethyl)-4-[2-(4-chlorophenyl)ethylsulfanyl]butanoic acid Openeye Name: 3-(aminomethyl)-4-[2-(4-chlorophenyl)ethylsulfanyl]butanoic acid CAS Name: 3-(aminomethyl)-4-[2-(4-chlorophenyl)ethylthio]butanoic acid IUPAC Name: 3-(aminomethyl)-4-[2-(4-chlorophenyl)ethylsulfanyl]butanoic acid Traditional Name: 3-(aminomethyl)-4-[2-(4-chlorophenyl)ethylthio]butyric acid Formula: C13H18ClNO2S MolecularWeight: 287.80552

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCSCC(CC(=O)O)CN)Cl

Isomeric SMILES

C1=CC(=CC=C1CCSCC(CC(=O)O)CN)Cl

InChI

InChI=1S/C13H18ClNO2S/c14-12-3-1-10(2-4-12)5-6-18-9-11(8-15)7-13(16)17/h1-4,11H,5-9,15H2,(H,16,17)