4-[[5-(hexanoylamino)-1-benzothiophen-3-yl]methyl]-3-methoxy-benzoic acid

Systemtic Name: 4-[[5-(hexanoylamino)-1-benzothiophen-3-yl]methyl]-3-methoxy-benzoic acid Openeye Name: 4-[[5-(hexanoylamino)benzothiophen-3-yl]methyl]-3-methoxy-benzoic acid CAS Name: 3-methoxy-4-[[5-(1-oxohexylamino)-1-benzothiophen-3-yl]methyl]benzoic acid IUPAC Name: 4-[[5-(hexanoylamino)-1-benzothiophen-3-yl]methyl]-3-methoxybenzoic acid Traditional Name: 4-[[5-(caproylamino)benzothiophen-3-yl]methyl]-3-methoxy-benzoic acid Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC2=C(C=C1)SC=C2CC3=C(C=C(C=C3)C(=O)O)OC

Isomeric SMILES

CCCCCC(=O)NC1=CC2=C(C=C1)SC=C2CC3=C(C=C(C=C3)C(=O)O)OC

InChI

InChI=1S/C23H25NO4S/c1-3-4-5-6-22(25)24-18-9-10-21-19(13-18)17(14-29-21)11-15-7-8-16(23(26)27)12-20(15)28-2/h7-10,12-14H,3-6,11H2,1-2H3,(H,24,25)(H,26,27)