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

Systemtic Name: 2-[(2-methyl-4-oxidanylidene-quinazolin-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(2-methyl-4-oxo-quinazolin-3-yl)methylsulfanyl]acetic acid CAS Name: 2-[(2-methyl-4-oxo-3-quinazolinyl)methylthio]acetic acid IUPAC Name: 2-[(2-methyl-4-oxoquinazolin-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4-keto-2-methyl-quinazolin-3-yl)methylthio]acetic acid Formula: C12H12N2O3S MolecularWeight: 264.30028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CSCC(=O)O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CSCC(=O)O

InChI

InChI=1S/C12H12N2O3S/c1-8-13-10-5-3-2-4-9(10)12(17)14(8)7-18-6-11(15)16/h2-5H,6-7H2,1H3,(H,15,16)