2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid

Systemtic Name: 2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid Openeye Name: 2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid CAS Name: 2-[[octoxy(oxo)methyl]amino]-5-octyl-3-thiophenecarboxylic acid IUPAC Name: 2-(octoxycarbonylamino)-5-octylthiophene-3-carboxylic acid Traditional Name: 2-(octoxycarbonylamino)-5-octyl-3-thenoic acid Formula: C22H37NO4S MolecularWeight: 411.59848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC(=C(S1)NC(=O)OCCCCCCCC)C(=O)O

InChI

InChI=1S/C22H37NO4S/c1-3-5-7-9-11-13-15-18-17-19(21(24)25)20(28-18)23-22(26)27-16-14-12-10-8-6-4-2/h17H,3-16H2,1-2H3,(H,23,26)(H,24,25)