methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-2-phenacylsulfanyl-quinazoline-7-carboxylate Openeye Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenacylsulfanyl-quinazoline-7-carboxylate CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-(phenacylthio)-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-phenacylsulfanylquinazoline-7-carboxylate Traditional Name: 4-keto-2-(phenacylthio)-3-piperonyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H20N2O6S MolecularWeight: 488.5118

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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=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)C3=CC=CC=C3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H20N2O6S/c1-32-25(31)18-8-9-19-20(12-18)27-26(35-14-21(29)17-5-3-2-4-6-17)28(24(19)30)13-16-7-10-22-23(11-16)34-15-33-22/h2-12H,13-15H2,1H3