(E)-3-[5-(3-azanylbutyl)thiophen-2-yl]but-2-enoate

Systemtic Name: (E)-3-[5-(3-azanylbutyl)thiophen-2-yl]but-2-enoate Openeye Name: (E)-3-[5-(3-aminobutyl)-2-thienyl]but-2-enoate CAS Name: (E)-3-[5-(3-aminobutyl)-2-thiophenyl]-2-butenoate IUPAC Name: (E)-3-[5-(3-aminobutyl)thiophen-2-yl]but-2-enoate Traditional Name: (E)-3-[5-(3-aminobutyl)-2-thienyl]but-2-enoate Formula: C12H16NO2S- MolecularWeight: 238.32594

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C(=CC(=O)[O-])C)N

Isomeric SMILES

CC(CCC1=CC=C(S1)/C(=C/C(=O)[O-])/C)N

InChI

InChI=1S/C12H17NO2S/c1-8(7-12(14)15)11-6-5-10(16-11)4-3-9(2)13/h5-7,9H,3-4,13H2,1-2H3,(H,14,15)/p-1/b8-7+