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

Systemtic Name: ethyl 8-[[4-oxidanylidene-3-(thiophen-2-ylcarbonylamino)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[4-oxo-3-(thiophene-2-carbonylamino)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[4-oxo-3-[[oxo(thiophen-2-yl)methyl]amino]-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[4-oxo-3-(thiophene-2-carbonylamino)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[4-keto-3-(2-thenoylamino)quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C25H21N3O6S2 MolecularWeight: 523.58074

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=CS5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3NC(=O)C5=CC=CS5)OCOC2

InChI

InChI=1S/C25H21N3O6S2/c1-2-33-24(31)15-10-16-12-32-14-34-21(16)17(11-15)13-36-25-26-19-7-4-3-6-18(19)23(30)28(25)27-22(29)20-8-5-9-35-20/h3-11H,2,12-14H2,1H3,(H,27,29)