2-acetamido-3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]propanoic acid

Systemtic Name: 2-acetamido-3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]propanoic acid Openeye Name: 2-acetamido-3-(5-chloro-1-oxo-indan-2-yl)sulfanyl-propanoic acid CAS Name: 2-acetamido-3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)thio]propanoic acid IUPAC Name: 2-acetamido-3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)sulfanyl]propanoic acid Traditional Name: 2-acetamido-3-[(5-chloro-1-keto-indan-2-yl)thio]propionic acid Formula: C14H14ClNO4S MolecularWeight: 327.78326

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)O

Isomeric SMILES

CC(=O)NC(CSC1CC2=C(C1=O)C=CC(=C2)Cl)C(=O)O

InChI

InChI=1S/C14H14ClNO4S/c1-7(17)16-11(14(19)20)6-21-12-5-8-4-9(15)2-3-10(8)13(12)18/h2-4,11-12H,5-6H2,1H3,(H,16,17)(H,19,20)