(8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C22H21N3O3S MolecularWeight: 407.48544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H21N3O3S/c1-14-7-6-8-15-21(14)24-18(25-22(15)27)13-28-20(26)12-5-4-11-19-23-16-9-2-3-10-17(16)29-19/h2-3,6-10H,4-5,11-13H2,1H3,(H,24,25,27)