3-[1-benzofuran-2-ylmethyl(cyclopropylcarbonyl)amino]-4-propyl-thiophene-2-carboxylic acid

Systemtic Name: 3-[1-benzofuran-2-ylmethyl(cyclopropylcarbonyl)amino]-4-propyl-thiophene-2-carboxylic acid Openeye Name: 3-[benzofuran-2-ylmethyl(cyclopropanecarbonyl)amino]-4-propyl-thiophene-2-carboxylic acid CAS Name: 3-[2-benzofuranylmethyl-[cyclopropyl(oxo)methyl]amino]-4-propyl-2-thiophenecarboxylic acid IUPAC Name: 3-[1-benzofuran-2-ylmethyl(cyclopropanecarbonyl)amino]-4-propylthiophene-2-carboxylic acid Traditional Name: 3-[benzofuran-2-ylmethyl(cyclopropanecarbonyl)amino]-4-propyl-2-thenoic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CSC(=C1N(CC2=CC3=CC=CC=C3O2)C(=O)C4CC4)C(=O)O

Isomeric SMILES

CCCC1=CSC(=C1N(CC2=CC3=CC=CC=C3O2)C(=O)C4CC4)C(=O)O

InChI

InChI=1S/C21H21NO4S/c1-2-5-15-12-27-19(21(24)25)18(15)22(20(23)13-8-9-13)11-16-10-14-6-3-4-7-17(14)26-16/h3-4,6-7,10,12-13H,2,5,8-9,11H2,1H3,(H,24,25)