methyl 5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylate

Systemtic Name: methyl 5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylate Openeye Name: methyl 5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylate CAS Name: 5-(1-azepanyl)-4-phenyl-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(azepan-1-yl)-4-phenylthiophene-2-carboxylate Traditional Name: 5-(azepan-1-yl)-4-phenyl-thiophene-2-carboxylic acid methyl ester Formula: C18H21NO2S MolecularWeight: 315.42984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(S1)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=C(S1)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C18H21NO2S/c1-21-18(20)16-13-15(14-9-5-4-6-10-14)17(22-16)19-11-7-2-3-8-12-19/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3