[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] (3R)-3-phenylbutanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] (3R)-3-phenylbutanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] (3R)-3-phenylbutanoate CAS Name: (3R)-3-phenylbutanoic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] (3R)-3-phenylbutanoate Traditional Name: (3R)-3-phenylbutyric acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OCC(=O)C(=C1N(C2=CC=CC=C2S1)C)C#N)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CC(=O)OCC(=O)/C(=C\1/N(C2=CC=CC=C2S1)C)/C#N)C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O3S/c1-15(16-8-4-3-5-9-16)12-21(26)27-14-19(25)17(13-23)22-24(2)18-10-6-7-11-20(18)28-22/h3-11,15H,12,14H2,1-2H3/b22-17-/t15-/m1/s1