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

Systemtic Name: methyl 4-[[5-(hexanoylamino)-1-benzothiophen-3-yl]methyl]-3-methoxy-benzoate Openeye Name: methyl 4-[[5-(hexanoylamino)benzothiophen-3-yl]methyl]-3-methoxy-benzoate CAS Name: 3-methoxy-4-[[5-(1-oxohexylamino)-1-benzothiophen-3-yl]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-(hexanoylamino)-1-benzothiophen-3-yl]methyl]-3-methoxybenzoate Traditional Name: 4-[[5-(caproylamino)benzothiophen-3-yl]methyl]-3-methoxy-benzoic acid methyl ester Formula: C24H27NO4S MolecularWeight: 425.54048

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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)OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO4S/c1-4-5-6-7-23(26)25-19-10-11-22-20(14-19)18(15-30-22)12-16-8-9-17(24(27)29-3)13-21(16)28-2/h8-11,13-15H,4-7,12H2,1-3H3,(H,25,26)