ethanedioic acid; (phenylmethyl) 3-[(2-pyridin-2-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate

Systemtic Name: ethanedioic acid; (phenylmethyl) 3-[(2-pyridin-2-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: benzyl 3-[2-(2-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate; oxalic acid CAS Name: oxalic acid; 3-[oxo-[2-(2-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 3-(2-pyridin-2-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 3-[2-(2-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid benzyl ester Formula: C27H23N3O7S MolecularWeight: 533.55242

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSN1C2=CC=CC=N2)C(=O)C3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1C(CSN1C2=CC=CC=N2)C(=O)C3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

InChI

InChI=1S/C25H21N3O3S.C2H2O4/c29-24(19-14-28(32-17-19)23-12-6-7-13-26-23)21-15-27(22-11-5-4-10-20(21)22)25(30)31-16-18-8-2-1-3-9-18;3-1(4)2(5)6/h1-13,15,19H,14,16-17H2;(H,3,4)(H,5,6)