2-[(E)-2-(5-cyano-1-benzothiophen-2-yl)ethenyl]pyrrolidine-1-carboxylate

Systemtic Name: 2-[(E)-2-(5-cyano-1-benzothiophen-2-yl)ethenyl]pyrrolidine-1-carboxylate Openeye Name: 2-[(E)-2-(5-cyanobenzothiophen-2-yl)vinyl]pyrrolidine-1-carboxylate CAS Name: 2-[(E)-2-(5-cyano-1-benzothiophen-2-yl)ethenyl]-1-pyrrolidinecarboxylate IUPAC Name: 2-[(E)-2-(5-cyano-1-benzothiophen-2-yl)ethenyl]pyrrolidine-1-carboxylate Traditional Name: 2-[(E)-2-(5-cyanobenzothiophen-2-yl)vinyl]pyrrolidine-1-carboxylate Formula: C16H13N2O2S- MolecularWeight: 297.35162

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)[O-])C=CC2=CC3=C(S2)C=CC(=C3)C#N

Isomeric SMILES

C1CC(N(C1)C(=O)[O-])/C=C/C2=CC3=C(S2)C=CC(=C3)C#N

InChI

InChI=1S/C16H14N2O2S/c17-10-11-3-6-15-12(8-11)9-14(21-15)5-4-13-2-1-7-18(13)16(19)20/h3-6,8-9,13H,1-2,7H2,(H,19,20)/p-1/b5-4+