N-ethylethanamine; 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoic acid

Systemtic Name: N-ethylethanamine; 2-[5-(phenylcarbonyl)thiophen-2-yl]propanoic acid Openeye Name: 2-(5-benzoyl-2-thienyl)propanoic acid; N-ethylethanamine CAS Name: 2-(5-benzoyl-2-thiophenyl)propanoic acid; N-ethylethanamine IUPAC Name: 2-(5-benzoylthiophen-2-yl)propanoic acid; N-ethylethanamine Traditional Name: 2-(5-benzoyl-2-thienyl)propionic acid; diethylamine Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CCNCC.CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCNCC.CC(C1=CC=C(S1)C(=O)C2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C14H12O3S.C4H11N/c1-9(14(16)17)11-7-8-12(18-11)13(15)10-5-3-2-4-6-10;1-3-5-4-2/h2-9H,1H3,(H,16,17);5H,3-4H2,1-2H3