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

Systemtic Name: ethanedioic acid; methyl 3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C21H19N3O7S MolecularWeight: 457.45646

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O3S.C2H2O4/c1-25-19(24)21-11-16(15-6-2-3-7-17(15)21)18(23)13-10-22(26-12-13)14-5-4-8-20-9-14;3-1(4)2(5)6/h2-9,11,13H,10,12H2,1H3;(H,3,4)(H,5,6)