[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 1-(4-chlorophenyl)cyclobutanecarboxylate CAS Name: 1-(4-chlorophenyl)-1-cyclobutanecarboxylic 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] 1-(4-chlorophenyl)cyclobutane-1-carboxylate Traditional Name: 1-(4-chlorophenyl)cyclobutanecarboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C23H19ClN2O3S MolecularWeight: 438.92656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3(CCC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)C3(CCC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C23H19ClN2O3S/c1-26-18-5-2-3-6-20(18)30-21(26)17(13-25)19(27)14-29-22(28)23(11-4-12-23)15-7-9-16(24)10-8-15/h2-3,5-10H,4,11-12,14H2,1H3/b21-17-