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

Systemtic Name: 2-(ethoxycarbonylamino)-4-methyl-5-octoxycarbonyl-thiophene-3-carboxylic acid Openeye Name: 2-(ethoxycarbonylamino)-4-methyl-5-octoxycarbonyl-thiophene-3-carboxylic acid CAS Name: 2-(ethoxycarbonylamino)-4-methyl-5-[octoxy(oxo)methyl]-3-thiophenecarboxylic acid IUPAC Name: 2-(ethoxycarbonylamino)-4-methyl-5-octoxycarbonylthiophene-3-carboxylic acid Traditional Name: 2-(carbethoxyamino)-4-methyl-5-octoxycarbonyl-3-thenoic acid Formula: C18H27NO6S MolecularWeight: 385.47508

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO6S/c1-4-6-7-8-9-10-11-25-17(22)14-12(3)13(16(20)21)15(26-14)19-18(23)24-5-2/h4-11H2,1-3H3,(H,19,23)(H,20,21)