2-(4-methylsulfanylphenyl)-2-morpholin-4-yl-ethanoic acid

Systemtic Name: 2-(4-methylsulfanylphenyl)-2-morpholin-4-yl-ethanoic acid Openeye Name: 2-(4-methylsulfanylphenyl)-2-morpholino-acetic acid CAS Name: 2-[4-(methylthio)phenyl]-2-(4-morpholinyl)acetic acid IUPAC Name: 2-(4-methylsulfanylphenyl)-2-morpholin-4-ylacetic acid Traditional Name: 2-[4-(methylthio)phenyl]-2-morpholino-acetic acid Formula: C13H17NO3S MolecularWeight: 267.34398

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C(=O)O)N2CCOCC2

Isomeric SMILES

CSC1=CC=C(C=C1)C(C(=O)O)N2CCOCC2

InChI

InChI=1S/C13H17NO3S/c1-18-11-4-2-10(3-5-11)12(13(15)16)14-6-8-17-9-7-14/h2-5,12H,6-9H2,1H3,(H,15,16)