9,10,10-tris(oxidanylidene)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thioxanthene-3-carboxamide

Systemtic Name: 9,10,10-tris(oxidanylidene)-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]thioxanthene-3-carboxamide Openeye Name: 9,10,10-trioxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thioxanthene-3-carboxamide CAS Name: 9,10,10-trioxo-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]-3-thioxanthenecarboxamide IUPAC Name: 9,10,10-trioxo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]thioxanthene-3-carboxamide Traditional Name: 9,10,10-triketo-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]thioxanthene-3-carboxamide Formula: C24H23N2O4S2+ MolecularWeight: 467.58042

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)C2=CC3=C(C=C2)C(=O)C4=CC=CC=C4S3(=O)=O)C5=CC=CS5

InChI

InChI=1S/C24H22N2O4S2/c27-23-17-6-1-2-8-21(17)32(29,30)22-14-16(9-10-18(22)23)24(28)25-15-19(20-7-5-13-31-20)26-11-3-4-12-26/h1-2,5-10,13-14,19H,3-4,11-12,15H2,(H,25,28)/p+1/t19-/m0/s1