(4-cyanophenyl)methyl (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate

Systemtic Name: (4-cyanophenyl)methyl (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: (4-cyanophenyl)methyl (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate CAS Name: (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenylpropanoate Traditional Name: (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propionic acid (4-cyanobenzyl) ester Formula: C25H20N2O2S MolecularWeight: 412.5035

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)C#N

Isomeric SMILES

C[C@@](CC1=NC2=CC=CC=C2S1)(C3=CC=CC=C3)C(=O)OCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H20N2O2S/c1-25(20-7-3-2-4-8-20,15-23-27-21-9-5-6-10-22(21)30-23)24(28)29-17-19-13-11-18(16-26)12-14-19/h2-14H,15,17H2,1H3/t25-/m1/s1