methyl 2-(4-chloranylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(4-chloranylbutanoylamino)-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-(4-chlorobutanoylamino)-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[(4-chloro-1-oxobutyl)amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(4-chlorobutanoylamino)-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-(4-chlorobutanoylamino)-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C12H16ClNO3S MolecularWeight: 289.77834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCCl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)CCCCl)C

InChI

InChI=1S/C12H16ClNO3S/c1-7-8(2)18-11(10(7)12(16)17-3)14-9(15)5-4-6-13/h4-6H2,1-3H3,(H,14,15)