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

Systemtic Name: 3-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid Openeye Name: 3-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid CAS Name: 3-[(3-oxo-4H-quinoxalin-2-yl)methylthio]propanoic acid IUPAC Name: 3-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]propanoic acid Traditional Name: 3-[(3-keto-4H-quinoxalin-2-yl)methylthio]propionic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O3S/c15-11(16)5-6-18-7-10-12(17)14-9-4-2-1-3-8(9)13-10/h1-4H,5-7H2,(H,14,17)(H,15,16)