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

Systemtic Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxidanylidene-quinazolin-3-yl]propanoate Openeye Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxo-quinazolin-3-yl]propanoate CAS Name: 3-[2-(1,3-benzodioxol-5-ylmethylthio)-4-oxo-3-quinazolinyl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(1,3-benzodioxol-5-ylmethylsulfanyl)-4-oxoquinazolin-3-yl]propanoate Traditional Name: 3-[4-keto-2-(piperonylthio)quinazolin-3-yl]propionic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5S/c1-25-18(23)8-9-22-19(24)14-4-2-3-5-15(14)21-20(22)28-11-13-6-7-16-17(10-13)27-12-26-16/h2-7,10H,8-9,11-12H2,1H3