ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-(1,3-benzodioxol-5-ylmethylamino)-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(1,3-benzodioxol-5-ylmethylamino)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-(piperonylamino)quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=N1)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19N3O4S/c1-2-25-18(24)11-28-20-22-15-6-4-3-5-14(15)19(23-20)21-10-13-7-8-16-17(9-13)27-12-26-16/h3-9H,2,10-12H2,1H3,(H,21,22,23)