2-diethylaminoethyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate; ethanoic acid

Systemtic Name: 2-diethylaminoethyl 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoate; ethanoic acid Openeye Name: acetic acid; 2-diethylaminoethyl 2-(5-benzoyl-2-thienyl)propanoate CAS Name: acetic acid; 2-(5-benzoyl-2-thiophenyl)propanoic acid 2-diethylaminoethyl ester IUPAC Name: acetic acid; 2-diethylaminoethyl 2-(5-benzoylthiophen-2-yl)propanoate Traditional Name: acetic acid; 2-(5-benzoyl-2-thienyl)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(S1)C(=O)C2=CC=CC=C2.CC(=O)O

Isomeric SMILES

CCN(CC)CCOC(=O)C(C)C1=CC=C(S1)C(=O)C2=CC=CC=C2.CC(=O)O

InChI

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