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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]benzoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-[(2-methylthiazol-4-yl)methylsulfanyl]benzoate CAS Name: 4-[(2-methyl-4-thiazolyl)methylthio]benzoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-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-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C22H19N3O3S2 MolecularWeight: 437.53456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)C3=CC=C(C=C3)SCC4=CSC(=N4)C

InChI

InChI=1S/C22H19N3O3S2/c1-13-4-3-5-18-20(13)24-19(25-21(18)26)10-28-22(27)15-6-8-17(9-7-15)30-12-16-11-29-14(2)23-16/h3-9,11H,10,12H2,1-2H3,(H,24,25,26)