ethanedioic acid; 2-(2-piperidin-1-ylethoxy)ethyl 9H-thioxanthene-9-carboxylate

Systemtic Name: ethanedioic acid; 2-(2-piperidin-1-ylethoxy)ethyl 9H-thioxanthene-9-carboxylate Openeye Name: oxalic acid; 2-[2-(1-piperidyl)ethoxy]ethyl 9H-thioxanthene-9-carboxylate CAS Name: oxalic acid; 9H-thioxanthene-9-carboxylic acid 2-[2-(1-piperidinyl)ethoxy]ethyl ester IUPAC Name: oxalic acid; 2-(2-piperidin-1-ylethoxy)ethyl 9H-thioxanthene-9-carboxylate Traditional Name: oxalic acid; 9H-thioxanthene-9-carboxylic acid 2-(2-piperidinoethoxy)ethyl ester Formula: C25H29NO7S MolecularWeight: 487.56526

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOCCOC(=O)C2C3=CC=CC=C3SC4=CC=CC=C24.C(=O)(C(=O)O)O

Isomeric SMILES

C1CCN(CC1)CCOCCOC(=O)C2C3=CC=CC=C3SC4=CC=CC=C24.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H27NO3S.C2H2O4/c25-23(27-17-16-26-15-14-24-12-6-1-7-13-24)22-18-8-2-4-10-20(18)28-21-11-5-3-9-19(21)22;3-1(4)2(5)6/h2-5,8-11,22H,1,6-7,12-17H2;(H,3,4)(H,5,6)