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

Systemtic Name: ethyl 8-[(4-oxidanylidene-3-phenethyl-quinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[(4-oxo-3-phenethyl-quinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[(4-oxo-3-phenethyl-2-quinazolinyl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[(4-oxo-3-phenethylquinazolin-2-yl)sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[(4-keto-3-phenethyl-quinazolin-2-yl)thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C28H26N2O5S MolecularWeight: 502.58144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OCOC2

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=C1)CSC3=NC4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5)OCOC2

InChI

InChI=1S/C28H26N2O5S/c1-2-34-27(32)20-14-21-16-33-18-35-25(21)22(15-20)17-36-28-29-24-11-7-6-10-23(24)26(31)30(28)13-12-19-8-4-3-5-9-19/h3-11,14-15H,2,12-13,16-18H2,1H3