1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(2-thienylsulfonylamino)benzoate CAS Name: 2-(thiophen-2-ylsulfonylamino)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 2-(2-thienylsulfonylamino)benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=CC=C3NS(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C21H17N3O5S2/c1-13(19-22-16-9-4-2-7-14(16)20(25)23-19)29-21(26)15-8-3-5-10-17(15)24-31(27,28)18-11-6-12-30-18/h2-13,24H,1H3,(H,22,23,25)