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

Systemtic Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-(1-oxooctylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(dimethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H30N2O4S MolecularWeight: 382.5175

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30N2O4S/c1-6-8-9-10-11-12-14(22)20-17-15(19(24)25-7-2)13(3)16(26-17)18(23)21(4)5/h6-12H2,1-5H3,(H,20,22)