[(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate

Systemtic Name: [(2R)-1-(4-acetamidophenyl)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-2-(4-acetamidophenyl)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-acetamidophenyl)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1R)-2-(4-acetamidophenyl)-2-keto-1-methyl-ethyl] ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)NC(=O)C)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O4S/c1-14(22(27)16-10-12-17(13-11-16)23-15(2)25)28-21(26)9-5-8-20-24-18-6-3-4-7-19(18)29-20/h3-4,6-7,10-14H,5,8-9H2,1-2H3,(H,23,25)/t14-/m1/s1