3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]propanoic acid hydrochloride

Systemtic Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]propanoic acid hydrochloride Openeye Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]propanoic acid hydrochloride CAS Name: 3-(1H-indol-3-yl)-2-[[4-(methylthio)phenyl]methylamino]propanoic acid hydrochloride IUPAC Name: 3-(1H-indol-3-yl)-2-[(4-methylsulfanylphenyl)methylamino]propanoic acid hydrochloride Traditional Name: 3-(1H-indol-3-yl)-2-[[4-(methylthio)benzyl]amino]propionic acid hydrochloride Formula: C19H21ClN2O2S MolecularWeight: 376.90024

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)CNC(CC2=CNC3=CC=CC=C32)C(=O)O.Cl

Isomeric SMILES

CSC1=CC=C(C=C1)CNC(CC2=CNC3=CC=CC=C32)C(=O)O.Cl

InChI

InChI=1S/C19H20N2O2S.ClH/c1-24-15-8-6-13(7-9-15)11-20-18(19(22)23)10-14-12-21-17-5-3-2-4-16(14)17;/h2-9,12,18,20-21H,10-11H2,1H3,(H,22,23);1H