[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,5-dimethylphenoxy)ethanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(2,5-dimethylphenoxy)ethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(2,5-dimethylphenoxy)acetate CAS Name: 2-(2,5-dimethylphenoxy)acetic 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] 2-(2,5-dimethylphenoxy)acetate Traditional Name: 2-(2,5-dimethylphenoxy)acetic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

InChI=1S/C22H20N2O4S/c1-14-8-9-15(2)19(10-14)27-13-21(26)28-12-18(25)16(11-23)22-24(3)17-6-4-5-7-20(17)29-22/h4-10H,12-13H2,1-3H3/b22-16-