methyl 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-(3-oxidanylpropyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[3-(3-hydroxypropyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(3-hydroxypropyl)-4-oxo-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(3-hydroxypropyl)-4-keto-quinazolin-2-yl]thio]acetic acid methyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCCO

InChI

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