ethyl 4-(5-cyano-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate

Systemtic Name: ethyl 4-(5-cyano-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate Openeye Name: ethyl 4-(5-cyanobenzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate CAS Name: 4-(5-cyano-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(5-cyano-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate Traditional Name: 4-(5-cyanobenzothiophen-2-yl)-3-(4-methoxyphenyl)butyric acid ethyl ester Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CC(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H21NO3S/c1-3-26-22(24)13-17(16-5-7-19(25-2)8-6-16)11-20-12-18-10-15(14-23)4-9-21(18)27-20/h4-10,12,17H,3,11,13H2,1-2H3