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

Systemtic Name: methyl 2-[2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazolin-3-yl]ethanoate Openeye Name: methyl 2-[2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-4-oxo-quinazolin-3-yl]acetate CAS Name: 2-[2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-4-oxo-3-quinazolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-4-oxoquinazolin-3-yl]acetate Traditional Name: 2-[2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-4-keto-quinazolin-3-yl]acetic acid methyl ester Formula: C20H16N2O6S MolecularWeight: 412.41584

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC(=O)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H16N2O6S/c1-26-18(24)9-22-19(25)13-4-2-3-5-14(13)21-20(22)29-10-15(23)12-6-7-16-17(8-12)28-11-27-16/h2-8H,9-11H2,1H3