O2-tert-butyl O4-ethyl 5-(heptanoylamino)-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: O2-tert-butyl O4-ethyl 5-(heptanoylamino)-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: O2-tert-butyl O4-ethyl 5-(heptanoylamino)-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-(1-oxoheptylamino)thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester IUPAC Name: 2-O-tert-butyl 4-O-ethyl 5-(heptanoylamino)-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-(enanthylamino)-3-methyl-thiophene-2,4-dicarboxylic acid O2-tert-butyl ester O4-ethyl ester Formula: C20H31NO5S MolecularWeight: 397.52884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=C(S1)C(=O)OC(C)(C)C)C)C(=O)OCC

InChI

InChI=1S/C20H31NO5S/c1-7-9-10-11-12-14(22)21-17-15(18(23)25-8-2)13(3)16(27-17)19(24)26-20(4,5)6/h7-12H2,1-6H3,(H,21,22)