2-azanyl-3-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]propanoic acid Openeye Name: 3-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-2-amino-propanoic acid CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methylthio]-2-aminopropanoic acid IUPAC Name: 3-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-2-aminopropanoic acid Traditional Name: 3-[(5-acetyl-2-ethoxy-benzyl)thio]-2-amino-propionic acid Formula: C14H19NO4S MolecularWeight: 297.36996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(C(=O)O)N

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSCC(C(=O)O)N

InChI

InChI=1S/C14H19NO4S/c1-3-19-13-5-4-10(9(2)16)6-11(13)7-20-8-12(15)14(17)18/h4-6,12H,3,7-8,15H2,1-2H3,(H,17,18)