ethanedioic acid; (6-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone

Systemtic Name: ethanedioic acid; (6-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Openeye Name: (6-benzyloxyindol-1-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid CAS Name: oxalic acid; (6-phenylmethoxy-1-indolyl)-[2-(3-pyridinyl)-4-isothiazolidinyl]methanone IUPAC Name: oxalic acid; (6-phenylmethoxyindol-1-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Traditional Name: (6-benzoxyindol-1-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid Formula: C26H23N3O6S MolecularWeight: 505.54232

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSN1C2=CN=CC=C2)C(=O)N3C=CC4=C3C=C(C=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(CSN1C2=CN=CC=C2)C(=O)N3C=CC4=C3C=C(C=C4)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H21N3O2S.C2H2O4/c28-24(20-15-27(30-17-20)21-7-4-11-25-14-21)26-12-10-19-8-9-22(13-23(19)26)29-16-18-5-2-1-3-6-18;3-1(4)2(5)6/h1-14,20H,15-17H2;(H,3,4)(H,5,6)