2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoic acid

Systemtic Name: 2-[(6-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)sulfanyl]ethanoic acid Openeye Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanyl]acetic acid CAS Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)thio]acetic acid IUPAC Name: 2-[(6-chloro-4-oxo-1H-quinazolin-2-yl)sulfanyl]acetic acid Traditional Name: 2-[(6-chloro-4-keto-1H-quinazolin-2-yl)thio]acetic acid Formula: C10H7ClN2O3S MolecularWeight: 270.69218

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)C(=O)N=C(N2)SCC(=O)O

Isomeric SMILES

C1=CC2=C(C=C1Cl)C(=O)N=C(N2)SCC(=O)O

InChI

InChI=1S/C10H7ClN2O3S/c11-5-1-2-7-6(3-5)9(16)13-10(12-7)17-4-8(14)15/h1-3H,4H2,(H,14,15)(H,12,13,16)