1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)OC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

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