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

Systemtic Name: 4-methyl-5-octoxycarbonyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 4-methyl-5-octoxycarbonyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[octoxy(oxo)methyl]-2-[[octoxy(oxo)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-octoxycarbonyl-2-(octoxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 4-methyl-5-octoxycarbonyl-2-(octoxycarbonylamino)-3-thenoic acid Formula: C24H39NO6S MolecularWeight: 469.63456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCCC)C(=O)O)C

Isomeric SMILES

CCCCCCCCOC(=O)C1=C(C(=C(S1)NC(=O)OCCCCCCCC)C(=O)O)C

InChI

InChI=1S/C24H39NO6S/c1-4-6-8-10-12-14-16-30-23(28)20-18(3)19(22(26)27)21(32-20)25-24(29)31-17-15-13-11-9-7-5-2/h4-17H2,1-3H3,(H,25,29)(H,26,27)