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

Systemtic Name: ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-methoxy-phenyl]propanoate Openeye Name: ethyl 3-[2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-4-ethoxy-5-methoxy-phenyl]propanoate CAS Name: 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-methoxyphenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(5-cyano-1-benzothiophen-2-yl)ethyl]-4-ethoxy-5-methoxyphenyl]propanoate Traditional Name: 3-[2-[2-(5-cyanobenzothiophen-2-yl)ethyl]-4-ethoxy-5-methoxy-phenyl]propionic acid ethyl ester Formula: C25H27NO4S MolecularWeight: 437.55118

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C25H27NO4S/c1-4-29-23-15-18(19(14-22(23)28-3)8-11-25(27)30-5-2)7-9-21-13-20-12-17(16-26)6-10-24(20)31-21/h6,10,12-15H,4-5,7-9,11H2,1-3H3