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

Systemtic Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(undecanoylamino)thiophene-3-carboxylate Openeye Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(undecanoylamino)thiophene-3-carboxylate CAS Name: 5-[dimethylamino(oxo)methyl]-4-methyl-2-(1-oxoundecylamino)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(dimethylcarbamoyl)-4-methyl-2-(undecanoylamino)thiophene-3-carboxylate Traditional Name: 5-(dimethylcarbamoyl)-4-methyl-2-(undecanoylamino)thiophene-3-carboxylic acid methyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-6-7-8-9-10-11-12-13-14-16(24)22-19-17(21(26)27-5)15(2)18(28-19)20(25)23(3)4/h6-14H2,1-5H3,(H,22,24)