2-[5-(tert-butylsulfamoyl)-2-methoxy-phenyl]-4-sulfanylidene-1H-quinazoline-6-carboxylic acid

Systemtic Name: 2-[5-(tert-butylsulfamoyl)-2-methoxy-phenyl]-4-sulfanylidene-1H-quinazoline-6-carboxylic acid Openeye Name: 2-[5-(tert-butylsulfamoyl)-2-methoxy-phenyl]-4-thioxo-1H-quinazoline-6-carboxylic acid CAS Name: 2-[5-(tert-butylsulfamoyl)-2-methoxyphenyl]-4-sulfanylidene-1H-quinazoline-6-carboxylic acid IUPAC Name: 2-[5-(tert-butylsulfamoyl)-2-methoxyphenyl]-4-sulfanylidene-1H-quinazoline-6-carboxylic acid Traditional Name: 2-[5-(tert-butylsulfamoyl)-2-methoxy-phenyl]-4-thioxo-1H-quinazoline-6-carboxylic acid Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C2=NC(=S)C3=C(N2)C=CC(=C3)C(=O)O

Isomeric SMILES

CC(C)(C)NS(=O)(=O)C1=CC(=C(C=C1)OC)C2=NC(=S)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C20H21N3O5S2/c1-20(2,3)23-30(26,27)12-6-8-16(28-4)14(10-12)17-21-15-7-5-11(19(24)25)9-13(15)18(29)22-17/h5-10,23H,1-4H3,(H,24,25)(H,21,22,29)