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

Systemtic Name: ethanedioic acid; ethyl 3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: ethyl 3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylate; oxalic acid CAS Name: oxalic acid; 3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxylate; oxalic acid Traditional Name: oxalic acid; 3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxylic acid ethyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CCOC(=O)N1C=C(C2=CC=CC=C21)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H19N3O3S.C2H2O4/c1-2-26-20(25)22-12-17(16-7-3-4-8-18(16)22)19(24)14-11-23(27-13-14)15-6-5-9-21-10-15;3-1(4)2(5)6/h3-10,12,14H,2,11,13H2,1H3;(H,3,4)(H,5,6)