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

Systemtic Name: ethyl 8-[[4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Openeye Name: ethyl 8-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate CAS Name: 8-[[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-quinazolinyl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester IUPAC Name: ethyl 8-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylmethyl]-4H-1,3-benzodioxine-6-carboxylate Traditional Name: 8-[[[4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]thio]methyl]-4H-1,3-benzodioxin-6-carboxylic acid ethyl ester Formula: C28H27N3O7S2 MolecularWeight: 581.65988

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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=C(C=C5)S(=O)(=O)N)OCOC2

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O7S2/c1-2-37-27(33)19-13-20-15-36-17-38-25(20)21(14-19)16-39-28-30-24-6-4-3-5-23(24)26(32)31(28)12-11-18-7-9-22(10-8-18)40(29,34)35/h3-10,13-14H,2,11-12,15-17H2,1H3,(H2,29,34,35)