methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]propanoate

Systemtic Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoranyl-1-benzothiophen-2-yl)carbonylamino]propanoate Openeye Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluorobenzothiophene-2-carbonyl)amino]propanoate CAS Name: 3-(3,4-dimethoxyphenyl)-3-[[(5-fluoro-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(3,4-dimethoxyphenyl)-3-[(5-fluoro-1-benzothiophene-2-carbonyl)amino]propanoate Traditional Name: 3-(3,4-dimethoxyphenyl)-3-[(5-fluorobenzothiophene-2-carbonyl)amino]propionic acid methyl ester Formula: C21H20FNO5S MolecularWeight: 417.450603

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(S2)C=CC(=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)OC)NC(=O)C2=CC3=C(S2)C=CC(=C3)F)OC

InChI

InChI=1S/C21H20FNO5S/c1-26-16-6-4-12(9-17(16)27-2)15(11-20(24)28-3)23-21(25)19-10-13-8-14(22)5-7-18(13)29-19/h4-10,15H,11H2,1-3H3,(H,23,25)