ethyl 3-methyl-5-(octanoylamino)thiophene-2-carboxylate

Systemtic Name: ethyl 3-methyl-5-(octanoylamino)thiophene-2-carboxylate Openeye Name: ethyl 3-methyl-5-(octanoylamino)thiophene-2-carboxylate CAS Name: 3-methyl-5-(1-oxooctylamino)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-5-(octanoylamino)thiophene-2-carboxylate Traditional Name: 5-(caprylylamino)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C16H25NO3S MolecularWeight: 311.4396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=CC(=C(S1)C(=O)OCC)C

Isomeric SMILES

CCCCCCCC(=O)NC1=CC(=C(S1)C(=O)OCC)C

InChI

InChI=1S/C16H25NO3S/c1-4-6-7-8-9-10-13(18)17-14-11-12(3)15(21-14)16(19)20-5-2/h11H,4-10H2,1-3H3,(H,17,18)