tert-butyl 2,5-dimethyl-3-[[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]carbonyl]indole-1-carboxylate; ethanedioic acid

Systemtic Name: tert-butyl 2,5-dimethyl-3-[[(4R)-2-pyridin-3-yl-1,3-thiazolidin-4-yl]carbonyl]indole-1-carboxylate; ethanedioic acid Openeye Name: tert-butyl 2,5-dimethyl-3-[(4R)-2-(3-pyridyl)thiazolidine-4-carbonyl]indole-1-carboxylate; oxalic acid CAS Name: 2,5-dimethyl-3-[oxo-[(4R)-2-(3-pyridinyl)-4-thiazolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester; oxalic acid IUPAC Name: tert-butyl 2,5-dimethyl-3-[(4R)-2-pyridin-3-yl-1,3-thiazolidine-4-carbonyl]indole-1-carboxylate; oxalic acid Traditional Name: 2,5-dimethyl-3-[(4R)-2-(3-pyridyl)thiazolidine-4-carbonyl]indole-1-carboxylic acid tert-butyl ester; oxalic acid Formula: C26H29N3O7S MolecularWeight: 527.58936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2C(=O)C3CSC(N3)C4=CN=CC=C4)C)C(=O)OC(C)(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2C(=O)[C@@H]3CSC(N3)C4=CN=CC=C4)C)C(=O)OC(C)(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C24H27N3O3S.C2H2O4/c1-14-8-9-19-17(11-14)20(15(2)27(19)23(29)30-24(3,4)5)21(28)18-13-31-22(26-18)16-7-6-10-25-12-16;3-1(4)2(5)6/h6-12,18,22,26H,13H2,1-5H3;(H,3,4)(H,5,6)/t18-,22?;/m0./s1