3-[2-(2-carboxyethylsulfanyl)quinazolin-4-yl]sulfanylpropanoic acid

Systemtic Name: 3-[2-(2-carboxyethylsulfanyl)quinazolin-4-yl]sulfanylpropanoic acid Openeye Name: 3-[2-(2-carboxyethylsulfanyl)quinazolin-4-yl]sulfanylpropanoic acid CAS Name: 3-[[2-(2-carboxyethylthio)-4-quinazolinyl]thio]propanoic acid IUPAC Name: 3-[2-(2-carboxyethylsulfanyl)quinazolin-4-yl]sulfanylpropanoic acid Traditional Name: 3-[[2-(2-carboxyethylthio)quinazolin-4-yl]thio]propionic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O4S2/c17-11(18)5-7-21-13-9-3-1-2-4-10(9)15-14(16-13)22-8-6-12(19)20/h1-4H,5-8H2,(H,17,18)(H,19,20)