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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(NC(S1)C2=CN=CC=C2)C(=O)C3=CN(C4=CC=CC=C43)C(=O)OCC5=CC=CC=C5.C(=O)(C(=O)O)O

Isomeric SMILES

C1[C@H](NC(S1)C2=CN=CC=C2)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/c29-23(21-16-32-24(27-21)18-9-6-12-26-13-18)20-14-28(22-11-5-4-10-19(20)22)25(30)31-15-17-7-2-1-3-8-17;3-1(4)2(5)6/h1-14,21,24,27H,15-16H2;(H,3,4)(H,5,6)/t21-,24?;/m0./s1