2-diethylaminoethyl 2-(4-thiophen-2-ylcarbonylphenyl)propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-(4-thiophen-2-ylcarbonylphenyl)propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate CAS Name: acetic acid; 2-[4-[oxo(thiophen-2-yl)methyl]phenyl]propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-[4-(thiophene-2-carbonyl)phenyl]propanoate Traditional Name: acetic acid; 2-[4-(2-thenoyl)phenyl]propionic acid 2-diethylaminoethyl ester Formula: C22H29NO5S MolecularWeight: 419.53436

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C(C)C1=CC=C(C=C1)C(=O)C2=CC=CS2.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC=C(C=C1)C(=O)C2=CC=CS2.CC(=O)O

InChI

InChI=1S/C20H25NO3S.C2H4O2/c1-4-21(5-2)12-13-24-20(23)15(3)16-8-10-17(11-9-16)19(22)18-7-6-14-25-18;1-2(3)4/h6-11,14-15H,4-5,12-13H2,1-3H3;1H3,(H,3,4)