methyl 2-[4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[4-oxidanylidene-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylethanoate Openeye Name: methyl 2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-quinazolinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]thio]acetic acid methyl ester Formula: C19H19N3O5S2 MolecularWeight: 433.50126

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

COC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H19N3O5S2/c1-27-17(23)12-28-19-21-16-5-3-2-4-15(16)18(24)22(19)11-10-13-6-8-14(9-7-13)29(20,25)26/h2-9H,10-12H2,1H3,(H2,20,25,26)