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

Systemtic Name: ethyl 4-(5-bromanyl-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate Openeye Name: ethyl 4-(5-bromobenzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate CAS Name: 4-(5-bromo-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoic acid ethyl ester IUPAC Name: ethyl 4-(5-bromo-1-benzothiophen-2-yl)-3-(4-methoxyphenyl)butanoate Traditional Name: 4-(5-bromobenzothiophen-2-yl)-3-(4-methoxyphenyl)butyric acid ethyl ester Formula: C21H21BrO3S MolecularWeight: 433.35864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO3S/c1-3-25-21(23)13-15(14-4-7-18(24-2)8-5-14)11-19-12-16-10-17(22)6-9-20(16)26-19/h4-10,12,15H,3,11,13H2,1-2H3