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

Systemtic Name: [(2R)-1-[(2-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-2-(2-methoxyanilino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-yl)butanoate CAS Name: 4-(1,3-benzothiazol-2-yl)butanoic acid [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-methoxyanilino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-yl)butyric acid [(1R)-2-keto-1-methyl-2-(o-anisidino)ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1OC)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1OC)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O4S/c1-14(21(25)23-15-8-3-5-10-17(15)26-2)27-20(24)13-7-12-19-22-16-9-4-6-11-18(16)28-19/h3-6,8-11,14H,7,12-13H2,1-2H3,(H,23,25)/t14-/m1/s1