methyl 1-[[(4E)-3-methyl-4-(thiophen-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[[(4E)-3-methyl-4-(thiophen-2-ylcarbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-yl]carbonyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(4E)-3-methyl-4-(thiophene-2-carbonylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]piperidine-4-carboxylate CAS Name: 1-[[(4E)-3-methyl-4-[[oxo(thiophen-2-yl)methyl]hydrazinylidene]-6,7-dihydro-5H-benzofuran-2-yl]-oxomethyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(4E)-3-methyl-4-(thiophene-2-carbonylhydrazinylidene)-6,7-dihydro-5H-1-benzofuran-2-carbonyl]piperidine-4-carboxylate Traditional Name: 1-[(4E)-3-methyl-4-(2-thenoylhydrazono)-6,7-dihydro-5H-benzofuran-2-carbonyl]isonipecotic acid methyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC=CS3)CCC2)C(=O)N4CCC(CC4)C(=O)OC

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC=CS3)/CCC2)C(=O)N4CCC(CC4)C(=O)OC

InChI

InChI=1S/C22H25N3O5S/c1-13-18-15(23-24-20(26)17-7-4-12-31-17)5-3-6-16(18)30-19(13)21(27)25-10-8-14(9-11-25)22(28)29-2/h4,7,12,14H,3,5-6,8-11H2,1-2H3,(H,24,26)/b23-15+