(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O3S/c1-15-18(24-22(27-15)16-8-3-2-4-9-16)14-26-21(25)13-7-12-20-23-17-10-5-6-11-19(17)28-20/h2-6,8-11H,7,12-14H2,1H3