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

Systemtic Name: 2-azanyl-3-[(6-chloranyl-3-oxidanylidene-1,2-dihydroinden-2-yl)sulfanyl]propanoic acid Openeye Name: 2-amino-3-(5-chloro-1-oxo-indan-2-yl)sulfanyl-propanoic acid CAS Name: 2-amino-3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)thio]propanoic acid IUPAC Name: 2-amino-3-[(6-chloro-3-oxo-1,2-dihydroinden-2-yl)sulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-chloro-1-keto-indan-2-yl)thio]propionic acid Formula: C12H12ClNO3S MolecularWeight: 285.74658

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)C2=C1C=C(C=C2)Cl)SCC(C(=O)O)N

Isomeric SMILES

C1C(C(=O)C2=C1C=C(C=C2)Cl)SCC(C(=O)O)N

InChI

InChI=1S/C12H12ClNO3S/c13-7-1-2-8-6(3-7)4-10(11(8)15)18-5-9(14)12(16)17/h1-3,9-10H,4-5,14H2,(H,16,17)