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

Systemtic Name: ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-oxidanyl-phenyl]propanoate Openeye Name: ethyl 3-[2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-5-hydroxy-phenyl]propanoate CAS Name: 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-hydroxyphenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-5-hydroxyphenyl]propanoate Traditional Name: 3-[2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-5-hydroxy-phenyl]propionic acid ethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC(=C1)O)CCC2=CC3=C(S2)C=CC(=C3)C#N

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC(=C1)O)CCC2=CC3=C(S2)C=CC(=C3)C#N

InChI

InChI=1S/C22H21NO3S/c1-2-26-22(25)10-6-17-12-19(24)7-4-16(17)5-8-20-13-18-11-15(14-23)3-9-21(18)27-20/h3-4,7,9,11-13,24H,2,5-6,8,10H2,1H3