ethyl 1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate

Systemtic Name: ethyl 1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxylate CAS Name: 1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]-1-oxopropyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-[(4-methyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[4-methyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]propanoyl]isonipecotic acid ethyl ester Formula: C18H24N4O3S2 MolecularWeight: 408.53816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)C(C)SC2=NN=C(N2C)C3=CC=CS3

InChI

InChI=1S/C18H24N4O3S2/c1-4-25-17(24)13-7-9-22(10-8-13)16(23)12(2)27-18-20-19-15(21(18)3)14-6-5-11-26-14/h5-6,11-13H,4,7-10H2,1-3H3