4-(2-ethyl-3-oxamoyl-1-benzothiophen-5-yl)butanoic acid

Systemtic Name: 4-(2-ethyl-3-oxamoyl-1-benzothiophen-5-yl)butanoic acid Openeye Name: 4-(2-ethyl-3-oxamoyl-benzothiophen-5-yl)butanoic acid CAS Name: 4-(2-ethyl-3-oxamoyl-1-benzothiophen-5-yl)butanoic acid IUPAC Name: 4-(2-ethyl-3-oxamoyl-1-benzothiophen-5-yl)butanoic acid Traditional Name: 4-(2-ethyl-3-oxamoyl-benzothiophen-5-yl)butyric acid Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(S1)C=CC(=C2)CCCC(=O)O)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(S1)C=CC(=C2)CCCC(=O)O)C(=O)C(=O)N

InChI

InChI=1S/C16H17NO4S/c1-2-11-14(15(20)16(17)21)10-8-9(4-3-5-13(18)19)6-7-12(10)22-11/h6-8H,2-5H2,1H3,(H2,17,21)(H,18,19)