(2-acetamido-1,3-thiazol-4-yl)methyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzoate

Systemtic Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]benzoate Openeye Name: (2-acetamidothiazol-4-yl)methyl 2-[(4-oxo-1H-quinazolin-2-yl)methyl]benzoate CAS Name: 2-[(4-oxo-1H-quinazolin-2-yl)methyl]benzoic acid (2-acetamido-4-thiazolyl)methyl ester IUPAC Name: (2-acetamido-1,3-thiazol-4-yl)methyl 2-[(4-oxo-1H-quinazolin-2-yl)methyl]benzoate Traditional Name: 2-[(4-keto-1H-quinazolin-2-yl)methyl]benzoic acid (2-acetamidothiazol-4-yl)methyl ester Formula: C22H18N4O4S MolecularWeight: 434.46772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=CC=C2CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(=O)NC1=NC(=CS1)COC(=O)C2=CC=CC=C2CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H18N4O4S/c1-13(27)23-22-24-15(12-31-22)11-30-21(29)16-7-3-2-6-14(16)10-19-25-18-9-5-4-8-17(18)20(28)26-19/h2-9,12H,10-11H2,1H3,(H,23,24,27)(H,25,26,28)