6-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-7-methyl-1-benzofuran-2-carboxylic acid

Systemtic Name: 6-[3-(3-azanyl-4-ethanoyl-2-propyl-phenyl)sulfanylpropoxy]-7-methyl-1-benzofuran-2-carboxylic acid Openeye Name: 6-[3-(4-acetyl-3-amino-2-propyl-phenyl)sulfanylpropoxy]-7-methyl-benzofuran-2-carboxylic acid CAS Name: 6-[3-[(4-acetyl-3-amino-2-propylphenyl)thio]propoxy]-7-methyl-2-benzofurancarboxylic acid IUPAC Name: 6-[3-(4-acetyl-3-amino-2-propylphenyl)sulfanylpropoxy]-7-methyl-1-benzofuran-2-carboxylic acid Traditional Name: 6-[3-[(4-acetyl-3-amino-2-propyl-phenyl)thio]propoxy]-7-methyl-coumarilic acid Formula: C24H27NO5S MolecularWeight: 441.53988

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1N)C(=O)C)SCCCOC2=C(C3=C(C=C2)C=C(O3)C(=O)O)C

Isomeric SMILES

CCCC1=C(C=CC(=C1N)C(=O)C)SCCCOC2=C(C3=C(C=C2)C=C(O3)C(=O)O)C

InChI

InChI=1S/C24H27NO5S/c1-4-6-18-21(10-8-17(15(3)26)22(18)25)31-12-5-11-29-19-9-7-16-13-20(24(27)28)30-23(16)14(19)2/h7-10,13H,4-6,11-12,25H2,1-3H3,(H,27,28)