(1,2-dimethylindol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone; ethanedioic acid

Systemtic Name: (1,2-dimethylindol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone; ethanedioic acid Openeye Name: (1,2-dimethylindol-3-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid CAS Name: (1,2-dimethyl-3-indolyl)-[2-(3-pyridinyl)-4-isothiazolidinyl]methanone; oxalic acid IUPAC Name: (1,2-dimethylindol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone; oxalic acid Traditional Name: (1,2-dimethylindol-3-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid Formula: C21H21N3O5S MolecularWeight: 427.47354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3OS.C2H2O4/c1-13-18(16-7-3-4-8-17(16)21(13)2)19(23)14-11-22(24-12-14)15-6-5-9-20-10-15;3-1(4)2(5)6/h3-10,14H,11-12H2,1-2H3;(H,3,4)(H,5,6)