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

Systemtic Name: ethanedioic acid; 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-piperidin-1-ylethoxy)thieno[2,3-b]pyrrolizin-8-imine Openeye Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-[2-(1-piperidyl)ethoxy]thieno[2,3-b]pyrrolizin-8-imine; oxalic acid CAS Name: 2-(methylthio)-3-(4-nitrophenyl)-N-[2-(1-piperidinyl)ethoxy]-8-thieno[2,3-b]pyrrolizinimine; oxalic acid IUPAC Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-piperidin-1-ylethoxy)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-piperidinoethoxy)amine; oxalic acid Formula: C25H26N4O7S2 MolecularWeight: 558.62654

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(S1)C(=NOCCN3CCCCC3)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\OCCN3CCCCC3)/C4=CC=CN42)C5=CC=C(C=C5)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N4O3S2.C2H2O4/c1-31-23-19(16-7-9-17(10-8-16)27(28)29)21-22(32-23)20(18-6-5-13-26(18)21)24-30-15-14-25-11-3-2-4-12-25;3-1(4)2(5)6/h5-10,13H,2-4,11-12,14-15H2,1H3;(H,3,4)(H,5,6)/b24-20-;