1,3-benzodioxol-5-ylmethyl 2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate

Systemtic Name: 1,3-benzodioxol-5-ylmethyl 2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanylethanoate Openeye Name: 1,3-benzodioxol-5-ylmethyl 2-(6-methyl-2-phenyl-quinazolin-4-yl)sulfanylacetate CAS Name: 2-[(6-methyl-2-phenyl-4-quinazolinyl)thio]acetic acid 1,3-benzodioxol-5-ylmethyl ester IUPAC Name: 1,3-benzodioxol-5-ylmethyl 2-(6-methyl-2-phenylquinazolin-4-yl)sulfanylacetate Traditional Name: 2-[(6-methyl-2-phenyl-quinazolin-4-yl)thio]acetic acid piperonyl ester Formula: C25H20N2O4S MolecularWeight: 444.5023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(N=C2SCC(=O)OCC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H20N2O4S/c1-16-7-9-20-19(11-16)25(27-24(26-20)18-5-3-2-4-6-18)32-14-23(28)29-13-17-8-10-21-22(12-17)31-15-30-21/h2-12H,13-15H2,1H3