methyl 2-azanyl-4-methylsulfanyl-butanoate; 2-(3-phenylphenyl)ethanoic acid

Systemtic Name: methyl 2-azanyl-4-methylsulfanyl-butanoate; 2-(3-phenylphenyl)ethanoic acid Openeye Name: methyl 2-amino-4-methylsulfanyl-butanoate; 2-(3-phenylphenyl)acetic acid CAS Name: 2-amino-4-(methylthio)butanoic acid methyl ester; 2-(3-phenylphenyl)acetic acid IUPAC Name: methyl 2-amino-4-methylsulfanylbutanoate; 2-(3-phenylphenyl)acetic acid Traditional Name: 2-amino-4-(methylthio)butyric acid methyl ester; 2-(3-phenylphenyl)acetic acid Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCSC)N.C1=CC=C(C=C1)C2=CC(=CC=C2)CC(=O)O

Isomeric SMILES

COC(=O)C(CCSC)N.C1=CC=C(C=C1)C2=CC(=CC=C2)CC(=O)O

InChI

InChI=1S/C14H12O2.C6H13NO2S/c15-14(16)10-11-5-4-8-13(9-11)12-6-2-1-3-7-12;1-9-6(8)5(7)3-4-10-2/h1-9H,10H2,(H,15,16);5H,3-4,7H2,1-2H3