ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-oxidanyl-phenyl]propanoate

Systemtic Name: ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-oxidanyl-phenyl]propanoate Openeye Name: ethyl 3-[2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxy-phenyl]propanoate CAS Name: 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxyphenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxyphenyl]propanoate Traditional Name: 3-[2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-4-ethoxy-5-hydroxy-phenyl]propionic acid ethyl ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CCC2=CC3=C(S2)C=CC(=C3)C#N)CCC(=O)OCC)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CCC2=CC3=C(S2)C=CC(=C3)C#N)CCC(=O)OCC)O

InChI

InChI=1S/C24H25NO4S/c1-3-28-22-14-18(17(13-21(22)26)7-10-24(27)29-4-2)6-8-20-12-19-11-16(15-25)5-9-23(19)30-20/h5,9,11-14,26H,3-4,6-8,10H2,1-2H3