(5-ethanoyl-2-methoxy-phenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate CAS Name: 5-(1,3-benzothiazol-2-yl)pentanoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 5-(1,3-benzothiazol-2-yl)pentanoate Traditional Name: 5-(1,3-benzothiazol-2-yl)valeric acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H23NO4S MolecularWeight: 397.48732

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)CCCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H23NO4S/c1-15(24)16-11-12-19(26-2)17(13-16)14-27-22(25)10-6-5-9-21-23-18-7-3-4-8-20(18)28-21/h3-4,7-8,11-13H,5-6,9-10,14H2,1-2H3