ethyl 8-[[4-oxidanylidene-3-(thiophen-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate

Systemtic Name: ethyl 8-[[4-oxidanylidene-3-(thiophen-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[4-oxo-3-(2-thienylmethyl)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[4-oxo-3-(thiophen-2-ylmethyl)-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[4-oxo-3-(thiophen-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[4-keto-3-(2-thenyl)quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C25H22N2O5S2 MolecularWeight: 494.58258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CS5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CS5)OCOC2

InChI

InChI=1S/C25H22N2O5S2/c1-2-31-24(29)16-10-17-13-30-15-32-22(17)18(11-16)14-34-25-26-21-8-4-3-7-20(21)23(28)27(25)12-19-6-5-9-33-19/h3-11H,2,12-15H2,1H3