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

Systemtic Name: [(2R)-1-[(3-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-yl)butanoate Openeye Name: [(1R)-2-(3-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-(3-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-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-2-(m-anisidino)-1-methyl-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)OC)OC(=O)CCCC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)OC)OC(=O)CCCC2=NC3=CC=CC=C3S2

InChI

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