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

Systemtic Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic 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-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-2-keto-ethyl] ester Formula: C20H20N2O3S2 MolecularWeight: 400.5144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(C)CC1=NC2=CC=CC=C2S1)SC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N(C)CC1=NC2=CC=CC=C2S1)SC3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S2/c1-14(26-15-8-4-3-5-9-15)20(24)25-13-19(23)22(2)12-18-21-16-10-6-7-11-17(16)27-18/h3-11,14H,12-13H2,1-2H3/t14-/m1/s1