2-chloranyl-4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoate

Systemtic Name: 2-chloranyl-4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoate Openeye Name: 2-chloro-4-[5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-furyl]benzoate CAS Name: 2-chloro-4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]-2-furanyl]benzoate IUPAC Name: 2-chloro-4-[5-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)iminomethyl]furan-2-yl]benzoate Traditional Name: 2-chloro-4-[5-[(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)iminomethyl]-2-furyl]benzoate Formula: C21H14ClN2O3S- MolecularWeight: 409.86546

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)[O-])Cl)C#N

Isomeric SMILES

C1CCC2=C(C1)C(=C(S2)N=CC3=CC=C(O3)C4=CC(=C(C=C4)C(=O)[O-])Cl)C#N

InChI

InChI=1S/C21H15ClN2O3S/c22-17-9-12(5-7-15(17)21(25)26)18-8-6-13(27-18)11-24-20-16(10-23)14-3-1-2-4-19(14)28-20/h5-9,11H,1-4H2,(H,25,26)/p-1