2-azanyl-3-[3-(quinolin-2-ylsulfanylmethyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-(quinolin-2-ylsulfanylmethyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3-(2-quinolylsulfanylmethyl)phenyl]propanoic acid CAS Name: 2-amino-3-[3-[(2-quinolinylthio)methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-(quinolin-2-ylsulfanylmethyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[(2-quinolylthio)methyl]phenyl]propionic acid Formula: C19H18N2O2S MolecularWeight: 338.42342

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)SCC3=CC=CC(=C3)CC(C(=O)O)N

InChI

InChI=1S/C19H18N2O2S/c20-16(19(22)23)11-13-4-3-5-14(10-13)12-24-18-9-8-15-6-1-2-7-17(15)21-18/h1-10,16H,11-12,20H2,(H,22,23)