(2R)-3-[2-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]-2-thiophen-2-yl-propanoate

Systemtic Name: (2R)-3-[2-[2-(diethylazaniumyl)ethoxy]-4-methoxy-phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[2-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[2-[2-(diethylammonio)ethoxy]-4-methoxyphenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[2-[2-(diethylazaniumyl)ethoxy]-4-methoxyphenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[2-[2-(diethylammonio)ethoxy]-4-methoxy-phenyl]-2-(2-thienyl)propionate Formula: C20H27NO4S MolecularWeight: 377.49768

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCOC1=C(C=CC(=C1)OC)CC(C2=CC=CS2)C(=O)[O-]

Isomeric SMILES

CC[NH+](CC)CCOC1=C(C=CC(=C1)OC)C[C@@H](C2=CC=CS2)C(=O)[O-]

InChI

InChI=1S/C20H27NO4S/c1-4-21(5-2)10-11-25-18-14-16(24-3)9-8-15(18)13-17(20(22)23)19-7-6-12-26-19/h6-9,12,14,17H,4-5,10-11,13H2,1-3H3,(H,22,23)/t17-/m0/s1