ethyl 5-(diethylcarbamoyl)-2-(heptanoylamino)-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 5-(diethylcarbamoyl)-2-(heptanoylamino)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-(diethylcarbamoyl)-2-(heptanoylamino)-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-4-methyl-2-(1-oxoheptylamino)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(diethylcarbamoyl)-2-(heptanoylamino)-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-(enanthylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H32N2O4S MolecularWeight: 396.54408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OCC

Isomeric SMILES

CCCCCCC(=O)NC1=C(C(=C(S1)C(=O)N(CC)CC)C)C(=O)OCC

InChI

InChI=1S/C20H32N2O4S/c1-6-10-11-12-13-15(23)21-18-16(20(25)26-9-4)14(5)17(27-18)19(24)22(7-2)8-3/h6-13H2,1-5H3,(H,21,23)