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

Systemtic Name: ethanedioic acid; 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyrrolizin-8-imine Openeye Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-pyrrolidin-1-ylethoxy)thieno[2,3-b]pyrrolizin-8-imine; oxalic acid CAS Name: 2-(methylthio)-3-(4-nitrophenyl)-N-[2-(1-pyrrolidinyl)ethoxy]-8-thieno[2,3-b]pyrrolizinimine; oxalic acid IUPAC Name: 2-methylsulfanyl-3-(4-nitrophenyl)-N-(2-pyrrolidin-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-pyrrolidinoethoxy)amine; oxalic acid Formula: C24H24N4O7S2 MolecularWeight: 544.59996

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C2=C(S1)C(=NOCCN3CCCC3)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\OCCN3CCCC3)/C4=CC=CN42)C5=CC=C(C=C5)[N+](=O)[O-].C(=O)(C(=O)O)O

InChI

InChI=1S/C22H22N4O3S2.C2H2O4/c1-30-22-18(15-6-8-16(9-7-15)26(27)28)20-21(31-22)19(17-5-4-12-25(17)20)23-29-14-13-24-10-2-3-11-24;3-1(4)2(5)6/h4-9,12H,2-3,10-11,13-14H2,1H3;(H,3,4)(H,5,6)/b23-19-;