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

Systemtic Name: ethyl 8-[[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(3-benzyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(3-benzyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(3-benzyl-4-keto-quinazolin-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C27H24N2O5S MolecularWeight: 488.55486

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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=CC=C5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CC=C5)OCOC2

InChI

InChI=1S/C27H24N2O5S/c1-2-33-26(31)19-12-20-15-32-17-34-24(20)21(13-19)16-35-27-28-23-11-7-6-10-22(23)25(30)29(27)14-18-8-4-3-5-9-18/h3-13H,2,14-17H2,1H3