[2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[(4,6-dimethyl-1,3-benzothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(=O)NC1=NC2=C(C=C(C=C2S1)C)C)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)NC1=NC2=C(C=C(C=C2S1)C)C)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-4-16(27-15-8-6-5-7-9-15)20(25)26-12-18(24)22-21-23-19-14(3)10-13(2)11-17(19)28-21/h5-11,16H,4,12H2,1-3H3,(H,22,23,24)/t16-/m1/s1