2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid

Systemtic Name: 2-[3-(3-methoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoic acid Openeye Name: 2-[3-(3-methoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetic acid CAS Name: 2-[[3-(3-methoxypropyl)-4-oxo-2-quinazolinyl]thio]acetic acid IUPAC Name: 2-[3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetic acid Traditional Name: 2-[[4-keto-3-(3-methoxypropyl)quinazolin-2-yl]thio]acetic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

Isomeric SMILES

COCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)O

InChI

InChI=1S/C14H16N2O4S/c1-20-8-4-7-16-13(19)10-5-2-3-6-11(10)15-14(16)21-9-12(17)18/h2-3,5-6H,4,7-9H2,1H3,(H,17,18)