ethyl 4-[2-[6-(thiophen-2-ylcarbonylamino)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[6-(thiophen-2-ylcarbonylamino)pyridazin-3-yl]sulfanylethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate CAS Name: 4-[1-oxo-2-[[6-[[oxo(thiophen-2-yl)methyl]amino]-3-pyridazinyl]thio]ethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[6-(thiophene-2-carbonylamino)pyridazin-3-yl]sulfanylacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[[6-(2-thenoylamino)pyridazin-3-yl]thio]acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H21N5O4S2 MolecularWeight: 435.52044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NN=C(C=C2)NC(=O)C3=CC=CS3

InChI

InChI=1S/C18H21N5O4S2/c1-2-27-18(26)23-9-7-22(8-10-23)16(24)12-29-15-6-5-14(20-21-15)19-17(25)13-4-3-11-28-13/h3-6,11H,2,7-10,12H2,1H3,(H,19,20,25)