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

Systemtic Name: ethyl 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[(4-keto-3-piperonyl-quinazolin-2-yl)thio]acetic acid ethyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N2O5S/c1-2-25-18(23)11-28-20-21-15-6-4-3-5-14(15)19(24)22(20)10-13-7-8-16-17(9-13)27-12-26-16/h3-9H,2,10-12H2,1H3