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

Systemtic Name: (2S)-2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]propanoate Openeye Name: (2S)-2-[(2-methyl-4-oxo-quinazolin-3-yl)methylsulfanyl]propanoate CAS Name: (2S)-2-[(2-methyl-4-oxo-3-quinazolinyl)methylthio]propanoate IUPAC Name: (2S)-2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]propanoate Traditional Name: (2S)-2-[(4-keto-2-methyl-quinazolin-3-yl)methylthio]propionate Formula: C13H13N2O3S- MolecularWeight: 277.31892

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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)/p-1/t8-/m0/s1