2-[2-(6-cyano-3-methoxy-1-benzothiophen-2-yl)ethyl]pyrrolidine-1-carboxylate

Systemtic Name: 2-[2-(6-cyano-3-methoxy-1-benzothiophen-2-yl)ethyl]pyrrolidine-1-carboxylate Openeye Name: 2-[2-(6-cyano-3-methoxy-benzothiophen-2-yl)ethyl]pyrrolidine-1-carboxylate CAS Name: 2-[2-(6-cyano-3-methoxy-1-benzothiophen-2-yl)ethyl]-1-pyrrolidinecarboxylate IUPAC Name: 2-[2-(6-cyano-3-methoxy-1-benzothiophen-2-yl)ethyl]pyrrolidine-1-carboxylate Traditional Name: 2-[2-(6-cyano-3-methoxy-benzothiophen-2-yl)ethyl]pyrrolidine-1-carboxylate Formula: C17H17N2O3S- MolecularWeight: 329.39348

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(SC2=C1C=CC(=C2)C#N)CCC3CCCN3C(=O)[O-]

Isomeric SMILES

COC1=C(SC2=C1C=CC(=C2)C#N)CCC3CCCN3C(=O)[O-]

InChI

InChI=1S/C17H18N2O3S/c1-22-16-13-6-4-11(10-18)9-15(13)23-14(16)7-5-12-3-2-8-19(12)17(20)21/h4,6,9,12H,2-3,5,7-8H2,1H3,(H,20,21)/p-1