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

Systemtic Name: 4-methyl-2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid Openeye Name: 4-methyl-2-(octoxycarbonylamino)-5-octyl-thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[octoxy(oxo)methyl]amino]-5-octyl-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(octoxycarbonylamino)-5-octylthiophene-3-carboxylic acid Traditional Name: 4-methyl-2-(octoxycarbonylamino)-5-octyl-3-thenoic acid Formula: C23H39NO4S MolecularWeight: 425.62506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO4S/c1-4-6-8-10-12-14-16-19-18(3)20(22(25)26)21(29-19)24-23(27)28-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,24,27)(H,25,26)