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

Systemtic Name: ethanedioic acid; 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethoxymethoxy)thieno[2,3-b]pyrrolizin-8-imine Openeye Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethoxymethoxy)thieno[2,3-b]pyrrolizin-8-imine; oxalic acid CAS Name: 2-(methylthio)-3-(4-nitrophenyl)-N-[2-(1-pyrrolidinyl)ethoxymethoxy]-8-thieno[2,3-b]pyrrolizinimine; oxalic acid IUPAC Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-pyrrolidin-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-pyrrolidinoethoxymethoxy)amine; oxalic acid Formula: C25H26N4O8S2 MolecularWeight: 574.62594

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(S1)C(=NOCOCCN3CCCC3)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\OCOCCN3CCCC3)/C4=CC=CN42)C5=CC=C(C=C5)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C23H24N4O4S2.C2H2O4/c1-32-23-19(16-6-8-17(9-7-16)27(28)29)21-22(33-23)20(18-5-4-12-26(18)21)24-31-15-30-14-13-25-10-2-3-11-25;3-1(4)2(5)6/h4-9,12H,2-3,10-11,13-15H2,1H3;(H,3,4)(H,5,6)/b24-20-;