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

Systemtic Name: 4-methyl-5-octoxycarbonyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Openeye Name: 2-(isopropoxycarbonylamino)-4-methyl-5-octoxycarbonyl-thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[octoxy(oxo)methyl]-2-[[oxo(propan-2-yloxy)methyl]amino]-3-thiophenecarboxylic acid IUPAC Name: 4-methyl-5-octoxycarbonyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid Traditional Name: 2-(isopropoxycarbonylamino)-4-methyl-5-octoxycarbonyl-3-thenoic acid Formula: C19H29NO6S MolecularWeight: 399.50166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29NO6S/c1-5-6-7-8-9-10-11-25-18(23)15-13(4)14(17(21)22)16(27-15)20-19(24)26-12(2)3/h12H,5-11H2,1-4H3,(H,20,24)(H,21,22)