(4-azanylquinazolin-2-yl)methyl 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate

Systemtic Name: (4-azanylquinazolin-2-yl)methyl 3-[1,1-bis(oxidanylidene)-1,2-thiazolidin-2-yl]benzoate Openeye Name: (4-aminoquinazolin-2-yl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate CAS Name: 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoic acid (4-amino-2-quinazolinyl)methyl ester IUPAC Name: (4-aminoquinazolin-2-yl)methyl 3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoate Traditional Name: 3-(1,1-diketo-1,2-thiazolidin-2-yl)benzoic acid (4-aminoquinazolin-2-yl)methyl ester Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CN(S(=O)(=O)C1)C2=CC=CC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H18N4O4S/c20-18-15-7-1-2-8-16(15)21-17(22-18)12-27-19(24)13-5-3-6-14(11-13)23-9-4-10-28(23,25)26/h1-3,5-8,11H,4,9-10,12H2,(H2,20,21,22)