ethyl 2-[2-(3-methylpiperidin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(3-methylpiperidin-1-yl)propanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-methyl-1-piperidyl)propanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(3-methyl-1-piperidinyl)-1-oxopropyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-methylpiperidin-1-yl)propanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(3-methylpiperidino)propanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H28N2O3S MolecularWeight: 400.53432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCCC(C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C(C)N3CCCC(C3)C

InChI

InChI=1S/C22H28N2O3S/c1-4-27-22(26)19-18(17-10-6-5-7-11-17)14-28-21(19)23-20(25)16(3)24-12-8-9-15(2)13-24/h5-7,10-11,14-16H,4,8-9,12-13H2,1-3H3,(H,23,25)