[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)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)N(C)CC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C(=O)OCC(=O)N(C)CC1=NC2=CC=CC=C2S1)OC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O4S/c1-3-17(27-15-9-5-4-6-10-15)21(25)26-14-20(24)23(2)13-19-22-16-11-7-8-12-18(16)28-19/h4-12,17H,3,13-14H2,1-2H3/t17-/m1/s1