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

Systemtic Name: (2R)-3-[4-[2-(diethylazaniumyl)ethoxy]-3-methoxy-phenyl]-2-thiophen-2-yl-propanoate Openeye Name: (2R)-3-[4-[2-(diethylammonio)ethoxy]-3-methoxy-phenyl]-2-(2-thienyl)propanoate CAS Name: (2R)-3-[4-[2-(diethylammonio)ethoxy]-3-methoxyphenyl]-2-thiophen-2-ylpropanoate IUPAC Name: (2R)-3-[4-[2-(diethylazaniumyl)ethoxy]-3-methoxyphenyl]-2-thiophen-2-ylpropanoate Traditional Name: (2R)-3-[4-[2-(diethylammonio)ethoxy]-3-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=C(C=C1)CC(C2=CC=CS2)C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4S/c1-4-21(5-2)10-11-25-17-9-8-15(14-18(17)24-3)13-16(20(22)23)19-7-6-12-26-19/h6-9,12,14,16H,4-5,10-11,13H2,1-3H3,(H,22,23)/t16-/m0/s1