1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H18N4O4S MolecularWeight: 422.45702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=NOC(=N1)CSC2=CC=CC=C2C(=O)OC(C)C3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H18N4O4S/c1-12(19-23-16-9-5-3-7-14(16)20(26)24-19)28-21(27)15-8-4-6-10-17(15)30-11-18-22-13(2)25-29-18/h3-10,12H,11H2,1-2H3,(H,23,24,26)