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

Systemtic Name: ethyl 8-[[3-(3,3-diethoxypropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[3-(3,3-diethoxypropyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[3-(3,3-diethoxypropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[3-(3,3-diethoxypropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[3-(3,3-diethoxypropyl)-4-keto-quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C27H32N2O7S MolecularWeight: 528.61718

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC4=C3OCOC4)C(=O)OCC)OCC

Isomeric SMILES

CCOC(CCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=CC4=C3OCOC4)C(=O)OCC)OCC

InChI

InChI=1S/C27H32N2O7S/c1-4-33-23(34-5-2)11-12-29-25(30)21-9-7-8-10-22(21)28-27(29)37-16-20-14-18(26(31)35-6-3)13-19-15-32-17-36-24(19)20/h7-10,13-14,23H,4-6,11-12,15-17H2,1-3H3