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

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 4-thiophen-2-ylbutanoate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 4-(2-thienyl)butanoate CAS Name: 4-thiophen-2-ylbutanoic 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] 4-thiophen-2-ylbutanoate Traditional Name: 4-(2-thienyl)butyric acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C20H18N2O3S2 MolecularWeight: 398.49852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)CCCC3=CC=CS3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)CCCC3=CC=CS3

InChI

InChI=1S/C20H18N2O3S2/c1-22-16-8-2-3-9-18(16)27-20(22)15(12-21)17(23)13-25-19(24)10-4-6-14-7-5-11-26-14/h2-3,5,7-9,11H,4,6,10,13H2,1H3/b20-15-