(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) (2R)-3-(1,3-benzothiazol-2-yl)-2-methyl-2-phenyl-propanoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) (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 (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) (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 (3-cyano-4-imino-2-keto-pentyl) ester Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O3S/c1-15(25)17(13-24)19(27)14-29-22(28)23(2,16-8-4-3-5-9-16)12-21-26-18-10-6-7-11-20(18)30-21/h3-11,17,25H,12,14H2,1-2H3/t17?,23-/m1/s1