2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-hydroxy-propanoic acid CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]-3-hydroxypropanoic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]-3-hydroxy-propionic acid Formula: C12H14ClNO4S MolecularWeight: 303.76186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCC(=O)NC(CO)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCC(=O)NC(CO)C(=O)O)Cl

InChI

InChI=1S/C12H14ClNO4S/c13-8-1-3-9(4-2-8)19-6-5-11(16)14-10(7-15)12(17)18/h1-4,10,15H,5-7H2,(H,14,16)(H,17,18)