5-decyl-2-(4-phenylmethoxybutoxycarbonylamino)thiophene-3-carboxylic acid

Systemtic Name: 5-decyl-2-(4-phenylmethoxybutoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 2-(4-benzyloxybutoxycarbonylamino)-5-decyl-thiophene-3-carboxylic acid CAS Name: 5-decyl-2-[[oxo(4-phenylmethoxybutoxy)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 5-decyl-2-(4-phenylmethoxybutoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 2-(4-benzoxybutoxycarbonylamino)-5-decyl-3-thenoic acid Formula: C27H39NO5S MolecularWeight: 489.66726

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCOCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCOCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C27H39NO5S/c1-2-3-4-5-6-7-8-12-17-23-20-24(26(29)30)25(34-23)28-27(31)33-19-14-13-18-32-21-22-15-10-9-11-16-22/h9-11,15-16,20H,2-8,12-14,17-19,21H2,1H3,(H,28,31)(H,29,30)