3-(5-cyano-1-benzothiophen-2-yl)-2-[4-(pyrrolidin-3-ylmethoxy)phenyl]propanoate

Systemtic Name: 3-(5-cyano-1-benzothiophen-2-yl)-2-[4-(pyrrolidin-3-ylmethoxy)phenyl]propanoate Openeye Name: 3-(5-cyanobenzothiophen-2-yl)-2-[4-(pyrrolidin-3-ylmethoxy)phenyl]propanoate CAS Name: 3-(5-cyano-1-benzothiophen-2-yl)-2-[4-(3-pyrrolidinylmethoxy)phenyl]propanoate IUPAC Name: 3-(5-cyano-1-benzothiophen-2-yl)-2-[4-(pyrrolidin-3-ylmethoxy)phenyl]propanoate Traditional Name: 3-(5-cyanobenzothiophen-2-yl)-2-[4-(pyrrolidin-3-ylmethoxy)phenyl]propionate Formula: C23H21N2O3S- MolecularWeight: 405.48944

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCC1COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C#N)C(=O)[O-]

Isomeric SMILES

C1CNCC1COC2=CC=C(C=C2)C(CC3=CC4=C(S3)C=CC(=C4)C#N)C(=O)[O-]

InChI

InChI=1S/C23H22N2O3S/c24-12-15-1-6-22-18(9-15)10-20(29-22)11-21(23(26)27)17-2-4-19(5-3-17)28-14-16-7-8-25-13-16/h1-6,9-10,16,21,25H,7-8,11,13-14H2,(H,26,27)/p-1