methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-ethyl]sulfanyl-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]thio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxoethyl]sulfanyl-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-keto-ethyl]thio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H20N2O7S MolecularWeight: 492.5005

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC4=C(C=C3)OCCO4)CC5=CC=CO5

InChI

InChI=1S/C25H20N2O7S/c1-31-24(30)16-4-6-18-19(11-16)26-25(27(23(18)29)13-17-3-2-8-32-17)35-14-20(28)15-5-7-21-22(12-15)34-10-9-33-21/h2-8,11-12H,9-10,13-14H2,1H3