(2S)-2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid

Systemtic Name: (2S)-2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoic acid Openeye Name: (2S)-2-[(2-methyl-4-oxo-quinazolin-3-yl)methylsulfanyl]propanoic acid CAS Name: (2S)-2-[(2-methyl-4-oxo-3-quinazolinyl)methylthio]propanoic acid IUPAC Name: (2S)-2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoic acid Traditional Name: (2S)-2-[(4-keto-2-methyl-quinazolin-3-yl)methylthio]propionic acid Formula: C13H14N2O3S MolecularWeight: 278.32686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CSC(C)C(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CS[C@@H](C)C(=O)O

InChI

InChI=1S/C13H14N2O3S/c1-8(13(17)18)19-7-15-9(2)14-11-6-4-3-5-10(11)12(15)16/h3-6,8H,7H2,1-2H3,(H,17,18)/t8-/m0/s1