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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Traditional Name: 4-[(2-methylthiazol-4-yl)methylthio]benzoic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NC(=CS1)CSC2=CC=C(C=C2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H17N3O3S2/c1-13-22-15(11-28-13)12-29-16-8-6-14(7-9-16)21(26)27-10-19-23-18-5-3-2-4-17(18)20(25)24-19/h2-9,11H,10,12H2,1H3,(H,23,24,25)