(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)CCCC(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl

InChI

InChI=1S/C20H16ClN3O3S/c21-12-8-9-13-15(10-12)22-17(24-20(13)26)11-27-19(25)7-3-6-18-23-14-4-1-2-5-16(14)28-18/h1-2,4-5,8-10H,3,6-7,11H2,(H,22,24,26)