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

Systemtic Name: 4-methyl-2-(2-methylpropoxycarbonylamino)-5-octoxycarbonyl-thiophene-3-carboxylic acid Openeye Name: 2-(isobutoxycarbonylamino)-4-methyl-5-octoxycarbonyl-thiophene-3-carboxylic acid CAS Name: 4-methyl-2-[[2-methylpropoxy(oxo)methyl]amino]-5-[octoxy(oxo)methyl]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-2-(2-methylpropoxycarbonylamino)-5-octoxycarbonylthiophene-3-carboxylic acid Traditional Name: 2-(isobutoxycarbonylamino)-4-methyl-5-octoxycarbonyl-3-thenoic acid Formula: C20H31NO6S MolecularWeight: 413.52824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31NO6S/c1-5-6-7-8-9-10-11-26-19(24)16-14(4)15(18(22)23)17(28-16)21-20(25)27-12-13(2)3/h13H,5-12H2,1-4H3,(H,21,25)(H,22,23)