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

Systemtic Name: 3-(aminomethyl)-4-[(3,4-dichlorophenyl)methylsulfanyl]butanoic acid Openeye Name: 3-(aminomethyl)-4-[(3,4-dichlorophenyl)methylsulfanyl]butanoic acid CAS Name: 3-(aminomethyl)-4-[(3,4-dichlorophenyl)methylthio]butanoic acid IUPAC Name: 3-(aminomethyl)-4-[(3,4-dichlorophenyl)methylsulfanyl]butanoic acid Traditional Name: 3-(aminomethyl)-4-[(3,4-dichlorobenzyl)thio]butyric acid Formula: C12H15Cl2NO2S MolecularWeight: 308.224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CSCC(CC(=O)O)CN)Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1CSCC(CC(=O)O)CN)Cl)Cl

InChI

InChI=1S/C12H15Cl2NO2S/c13-10-2-1-8(3-11(10)14)6-18-7-9(5-15)4-12(16)17/h1-3,9H,4-7,15H2,(H,16,17)