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

Systemtic Name: methyl 5-(4-chloranylbutanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate Openeye Name: methyl 5-(4-chlorobutanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylate CAS Name: 5-[(4-chloro-1-oxobutyl)amino]-4-cyano-3-methyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(4-chlorobutanoylamino)-4-cyano-3-methylthiophene-2-carboxylate Traditional Name: 5-(4-chlorobutanoylamino)-4-cyano-3-methyl-thiophene-2-carboxylic acid methyl ester Formula: C12H13ClN2O3S MolecularWeight: 300.76122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O3S/c1-7-8(6-14)11(15-9(16)4-3-5-13)19-10(7)12(17)18-2/h3-5H2,1-2H3,(H,15,16)