[2-[(E)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate

Systemtic Name: [2-[(E)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate Openeye Name: [2-[(E)-1-piperidyliminomethyl]benzothiophen-3-yl] benzoate CAS Name: benzoic acid [2-[(E)-1-piperidinyliminomethyl]-1-benzothiophen-3-yl] ester IUPAC Name: [2-[(E)-piperidin-1-yliminomethyl]-1-benzothiophen-3-yl] benzoate Traditional Name: benzoic acid [2-[(E)-piperidinoiminomethyl]benzothiophen-3-yl] ester Formula: C21H20N2O2S MolecularWeight: 364.4607

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)N=CC2=C(C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)/N=C/C2=C(C3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O2S/c24-21(16-9-3-1-4-10-16)25-20-17-11-5-6-12-18(17)26-19(20)15-22-23-13-7-2-8-14-23/h1,3-6,9-12,15H,2,7-8,13-14H2/b22-15+