5-[3-[1-benzofuran-2-ylmethyl(cyclopropylcarbonyl)amino]propyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[3-[1-benzofuran-2-ylmethyl(cyclopropylcarbonyl)amino]propyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[benzofuran-2-ylmethyl(cyclopropanecarbonyl)amino]propyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[2-benzofuranylmethyl-[cyclopropyl(oxo)methyl]amino]propyl]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[1-benzofuran-2-ylmethyl(cyclopropanecarbonyl)amino]propyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[benzofuran-2-ylmethyl(cyclopropanecarbonyl)amino]propyl]-2-thenoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C(=O)N(CCCC2=CC=C(S2)C(=O)O)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1CC1C(=O)N(CCCC2=CC=C(S2)C(=O)O)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H21NO4S/c23-20(14-7-8-14)22(11-3-5-17-9-10-19(27-17)21(24)25)13-16-12-15-4-1-2-6-18(15)26-16/h1-2,4,6,9-10,12,14H,3,5,7-8,11,13H2,(H,24,25)