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

Systemtic Name: ethyl 2-(4-chloranylbutanoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-(4-chlorobutanoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-5-[diethylamino(oxo)methyl]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(4-chlorobutanoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C17H25ClN2O4S MolecularWeight: 388.9094

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCCl)C(=O)OCC)C

Isomeric SMILES

CCN(CC)C(=O)C1=C(C(=C(S1)NC(=O)CCCCl)C(=O)OCC)C

InChI

InChI=1S/C17H25ClN2O4S/c1-5-20(6-2)16(22)14-11(4)13(17(23)24-7-3)15(25-14)19-12(21)9-8-10-18/h5-10H2,1-4H3,(H,19,21)