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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-(1-oxooctylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(octanoylamino)thiophene-3-carboxylate Traditional Name: 2-(caprylylamino)-5-(dimethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C18H28N2O4S MolecularWeight: 368.49092

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C18H28N2O4S/c1-6-7-8-9-10-11-13(21)19-16-14(18(23)24-5)12(2)15(25-16)17(22)20(3)4/h6-11H2,1-5H3,(H,19,21)