ethanedioic acid; (4-phenylmethoxy-1H-indol-2-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone

Systemtic Name: ethanedioic acid; (4-phenylmethoxy-1H-indol-2-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Openeye Name: (4-benzyloxy-1H-indol-2-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid CAS Name: oxalic acid; (4-phenylmethoxy-1H-indol-2-yl)-[2-(3-pyridinyl)-4-isothiazolidinyl]methanone IUPAC Name: oxalic acid; (4-phenylmethoxy-1H-indol-2-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Traditional Name: (4-benzoxy-1H-indol-2-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid Formula: C26H23N3O6S MolecularWeight: 505.54232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(CSN1C2=CN=CC=C2)C(=O)C3=CC4=C(N3)C=CC=C4OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(CSN1C2=CN=CC=C2)C(=O)C3=CC4=C(N3)C=CC=C4OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

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