ethyl 5-ethanoyl-4-methyl-2-(octanoylamino)thiophene-3-carboxylate

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-(1-oxooctylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 5-acetyl-2-(caprylylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC

Isomeric SMILES

CCCCCCCC(=O)NC1=C(C(=C(S1)C(=O)C)C)C(=O)OCC

InChI

InChI=1S/C18H27NO4S/c1-5-7-8-9-10-11-14(21)19-17-15(18(22)23-6-2)12(3)16(24-17)13(4)20/h5-11H2,1-4H3,(H,19,21)