5-[5-(4-methoxy-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 5-[5-(4-methoxy-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]thiophene-2-carboxylic acid Openeye Name: 5-[5-(4-methoxy-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]thiophene-2-carboxylic acid CAS Name: 5-[5-(4-methoxy-7-propyl-2-benzofuranyl)-1H-pyrrol-2-yl]-2-thiophenecarboxylic acid IUPAC Name: 5-[5-(4-methoxy-7-propyl-1-benzofuran-2-yl)-1H-pyrrol-2-yl]thiophene-2-carboxylic acid Traditional Name: 5-[5-(4-methoxy-7-propyl-benzofuran-2-yl)-1H-pyrrol-2-yl]-2-thenoic acid Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC=C(N3)C4=CC=C(S4)C(=O)O

Isomeric SMILES

CCCC1=C2C(=C(C=C1)OC)C=C(O2)C3=CC=C(N3)C4=CC=C(S4)C(=O)O

InChI

InChI=1S/C21H19NO4S/c1-3-4-12-5-8-16(25-2)13-11-17(26-20(12)13)14-6-7-15(22-14)18-9-10-19(27-18)21(23)24/h5-11,22H,3-4H2,1-2H3,(H,23,24)