2-azanyl-3-[(5-ethoxycarbonylpyrazol-1-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-ethoxycarbonylpyrazol-1-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-ethoxycarbonylpyrazol-1-yl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-ethoxycarbonyl-1-pyrazolyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-ethoxycarbonylpyrazol-1-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-carbethoxypyrazol-1-yl)methylthio]propionic acid Formula: C10H15N3O4S MolecularWeight: 273.3088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=NN1CSCC(C(=O)O)N

Isomeric SMILES

CCOC(=O)C1=CC=NN1CSCC(C(=O)O)N

InChI

InChI=1S/C10H15N3O4S/c1-2-17-10(16)8-3-4-12-13(8)6-18-5-7(11)9(14)15/h3-4,7H,2,5-6,11H2,1H3,(H,14,15)