[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-oxidanyl-phenyl] propanoate

Systemtic Name: [2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-oxidanyl-phenyl] propanoate Openeye Name: [2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxy-phenyl] propanoate CAS Name: propanoic acid [2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxyphenyl] ester IUPAC Name: [2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxyphenyl] propanoate Traditional Name: propionic acid [2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxy-phenyl] ester Formula: C22H21NO4S MolecularWeight: 395.47144

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=CC(=C(C=C1CCC2=CC3=C(S2)C=CC(=C3)C#N)OCC)O

Isomeric SMILES

CCC(=O)OC1=CC(=C(C=C1CCC2=CC3=C(S2)C=CC(=C3)C#N)OCC)O

InChI

InChI=1S/C22H21NO4S/c1-3-22(25)27-19-12-18(24)20(26-4-2)11-15(19)6-7-17-10-16-9-14(13-23)5-8-21(16)28-17/h5,8-12,24H,3-4,6-7H2,1-2H3