methyl 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate

Systemtic Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-(1,3-benzodioxol-5-ylmethylthio)-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[4-keto-2-(piperonylthio)quinazolin-3-yl]acetic acid methyl ester Formula: C19H16N2O5S MolecularWeight: 384.40574

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H16N2O5S/c1-24-17(22)9-21-18(23)13-4-2-3-5-14(13)20-19(21)27-10-12-6-7-15-16(8-12)26-11-25-15/h2-8H,9-11H2,1H3