3-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-oxidanylidene-1H-quinolin-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-oxo-1H-quinolin-4-yl)methylthio]propanoic acid IUPAC Name: 3-[(2-oxo-1H-quinolin-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-keto-1H-quinolin-4-yl)methylthio]propionic acid Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)CSCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)CSCCC(=O)O

InChI

InChI=1S/C13H13NO3S/c15-12-7-9(8-18-6-5-13(16)17)10-3-1-2-4-11(10)14-12/h1-4,7H,5-6,8H2,(H,14,15)(H,16,17)