3-[(2-oxidanylidenepyrano[3,2-g]quinolin-4-yl)methylsulfanyl]propanoic acid

Systemtic Name: 3-[(2-oxidanylidenepyrano[3,2-g]quinolin-4-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(2-oxopyrano[3,2-g]quinolin-4-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(2-oxo-4-pyrano[3,2-g]quinolinyl)methylthio]propanoic acid IUPAC Name: 3-[(2-oxopyrano[3,2-g]quinolin-4-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(2-ketopyrano[3,2-g]quinolin-4-yl)methylthio]propionic acid Formula: C16H13NO4S MolecularWeight: 315.34372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CC3=C(C=C2N=C1)OC(=O)C=C3CSCCC(=O)O

Isomeric SMILES

C1=CC2=CC3=C(C=C2N=C1)OC(=O)C=C3CSCCC(=O)O

InChI

InChI=1S/C16H13NO4S/c18-15(19)3-5-22-9-11-7-16(20)21-14-8-13-10(6-12(11)14)2-1-4-17-13/h1-2,4,6-8H,3,5,9H2,(H,18,19)