5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid

Systemtic Name: 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Openeye Name: 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid CAS Name: 5-[[heptoxy(oxo)methyl]amino]-3-methylthiophene-2,4-dicarboxylic acid IUPAC Name: 5-(heptoxycarbonylamino)-3-methylthiophene-2,4-dicarboxylic acid Traditional Name: 5-(heptoxycarbonylamino)-3-methyl-thiophene-2,4-dicarboxylic acid Formula: C15H21NO6S MolecularWeight: 343.39534

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

Isomeric SMILES

CCCCCCCOC(=O)NC1=C(C(=C(S1)C(=O)O)C)C(=O)O

InChI

InChI=1S/C15H21NO6S/c1-3-4-5-6-7-8-22-15(21)16-12-10(13(17)18)9(2)11(23-12)14(19)20/h3-8H2,1-2H3,(H,16,21)(H,17,18)(H,19,20)