tert-butyl 6-methyl-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]-1H-indole-2-carboxylate; ethanedioic acid

Systemtic Name: tert-butyl 6-methyl-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]-1H-indole-2-carboxylate; ethanedioic acid Openeye Name: tert-butyl 6-methyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]-1H-indole-2-carboxylate; oxalic acid CAS Name: 6-methyl-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1H-indole-2-carboxylic acid tert-butyl ester; oxalic acid IUPAC Name: tert-butyl 6-methyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)-1H-indole-2-carboxylate; oxalic acid Traditional Name: 6-methyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]-1H-indole-2-carboxylic acid tert-butyl ester; oxalic acid Formula: C25H27N3O7S MolecularWeight: 513.56278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC(C)(C)C)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(N2)C(=O)OC(C)(C)C)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

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