[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-ethylphenoxy)ethanoate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(4-ethylphenoxy)ethanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(4-ethylphenoxy)acetate CAS Name: 2-(4-ethylphenoxy)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-(4-ethylphenoxy)acetate Traditional Name: 2-(4-ethylphenoxy)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:

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)C(=C2N(C3=CC=CC=C3S2)C)C#N

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)OCC(=O)/C(=C\2/N(C3=CC=CC=C3S2)C)/C#N

InChI

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