3-(4-hydroxyphenyl)-2-[(phenylmethylsulfanyl)carbonylamino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[(phenylmethylsulfanyl)carbonylamino]propanoic acid Openeye Name: 2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[oxo-(phenylmethylthio)methyl]amino]propanoic acid IUPAC Name: 2-(benzylsulfanylcarbonylamino)-3-(4-hydroxyphenyl)propanoic acid Traditional Name: 2-[(benzylthio)carbonylamino]-3-(4-hydroxyphenyl)propionic acid Formula: C17H17NO4S MolecularWeight: 331.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=O)NC(CC2=CC=C(C=C2)O)C(=O)O

InChI

InChI=1S/C17H17NO4S/c19-14-8-6-12(7-9-14)10-15(16(20)21)18-17(22)23-11-13-4-2-1-3-5-13/h1-9,15,19H,10-11H2,(H,18,22)(H,20,21)