methyl 2-(3-chloranylpropanoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-(3-chloranylpropanoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-(3-chloropropanoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[(3-chloro-1-oxopropyl)amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-chloropropanoylamino)-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-(3-chloropropanoylamino)-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C12H16ClNO3S MolecularWeight: 289.77834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=O)CCCl)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=O)CCCl)C

InChI

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