1,3-benzothiazol-2-ylmethyl 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-(8-methyl-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)butanoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-(8-methyl-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)butyric acid 1,3-benzothiazol-2-ylmethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H19N3O3S/c1-14-6-4-7-15-20(14)22-13-24(21(15)26)11-5-10-19(25)27-12-18-23-16-8-2-3-9-17(16)28-18/h2-4,6-9,13H,5,10-12H2,1H3