3-(2-azanyl-4-chloranyl-6-ethoxycarbonyl-phenyl)sulfanylpropanoic acid

Systemtic Name: 3-(2-azanyl-4-chloranyl-6-ethoxycarbonyl-phenyl)sulfanylpropanoic acid Openeye Name: 3-(2-amino-4-chloro-6-ethoxycarbonyl-phenyl)sulfanylpropanoic acid CAS Name: 3-[(2-amino-4-chloro-6-ethoxycarbonylphenyl)thio]propanoic acid IUPAC Name: 3-(2-amino-4-chloro-6-ethoxycarbonylphenyl)sulfanylpropanoic acid Traditional Name: 3-[(2-amino-6-carbethoxy-4-chloro-phenyl)thio]propionic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1SCCC(=O)O)N)Cl

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1SCCC(=O)O)N)Cl

InChI

InChI=1S/C12H14ClNO4S/c1-2-18-12(17)8-5-7(13)6-9(14)11(8)19-4-3-10(15)16/h5-6H,2-4,14H2,1H3,(H,15,16)