ethanedioic acid; 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-piperidin-1-ylethoxymethoxy)thieno[2,3-b]pyrrolizin-8-imine

Systemtic Name: ethanedioic acid; 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-piperidin-1-ylethoxymethoxy)thieno[2,3-b]pyrrolizin-8-imine Openeye Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-[2-(1-piperidyl)ethoxymethoxy]thieno[2,3-b]pyrrolizin-8-imine; oxalic acid CAS Name: 2-(methylthio)-3-(4-nitrophenyl)-N-[2-(1-piperidinyl)ethoxymethoxy]-8-thieno[2,3-b]pyrrolizinimine; oxalic acid IUPAC Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-piperidin-1-ylethoxymethoxy)thieno[2,3-b]pyrrolizin-8-imine; oxalic acid Traditional Name: (Z)-[2-(methylthio)-3-(4-nitrophenyl)thieno[2,3-b]pyrrolizin-8-ylidene]-(2-piperidinoethoxymethoxy)amine; oxalic acid Formula: C26H28N4O8S2 MolecularWeight: 588.65252

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(S1)C(=NOCOCCN3CCCCC3)C4=CC=CN42)C5=CC=C(C=C5)[N+](=O)[O-].C(=O)(C(=O)O)O

Isomeric SMILES

CSC1=C(C2=C(S1)/C(=N\OCOCCN3CCCCC3)/C4=CC=CN42)C5=CC=C(C=C5)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C24H26N4O4S2.C2H2O4/c1-33-24-20(17-7-9-18(10-8-17)28(29)30)22-23(34-24)21(19-6-5-13-27(19)22)25-32-16-31-15-14-26-11-3-2-4-12-26;3-1(4)2(5)6/h5-10,13H,2-4,11-12,14-16H2,1H3;(H,3,4)(H,5,6)/b25-21-;