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

Systemtic Name: tert-butyl 2-methyl-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate; ethanedioic acid Openeye Name: tert-butyl 2-methyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate; oxalic acid CAS Name: 2-methyl-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid tert-butyl ester; oxalic acid IUPAC Name: tert-butyl 2-methyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate; oxalic acid Traditional Name: 2-methyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid tert-butyl ester; oxalic acid Formula: C25H27N3O7S MolecularWeight: 513.56278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1C(=O)OC(C)(C)C)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C23H25N3O3S.C2H2O4/c1-15-20(21(27)16-13-25(30-14-16)17-8-7-11-24-12-17)18-9-5-6-10-19(18)26(15)22(28)29-23(2,3)4;3-1(4)2(5)6/h5-12,16H,13-14H2,1-4H3;(H,3,4)(H,5,6)