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

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-5-(diethylcarbamoyl)-4-methylthiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-5-(diethylcarbamoyl)-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C16H23ClN2O4S MolecularWeight: 374.88282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23ClN2O4S/c1-5-19(6-2)15(21)13-10(3)12(16(22)23-4)14(24-13)18-11(20)8-7-9-17/h5-9H2,1-4H3,(H,18,20)