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

Systemtic Name: ethanedioic acid; N-methyl-3-[(2-pyridin-3-yl-1,2-thiazolidin-4-yl)carbonyl]indole-1-carboxamide Openeye Name: N-methyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxamide; oxalic acid CAS Name: N-methyl-3-[oxo-[2-(3-pyridinyl)-4-isothiazolidinyl]methyl]-1-indolecarboxamide; oxalic acid IUPAC Name: N-methyl-3-(2-pyridin-3-yl-1,2-thiazolidine-4-carbonyl)indole-1-carboxamide; oxalic acid Traditional Name: N-methyl-3-[2-(3-pyridyl)isothiazolidine-4-carbonyl]indole-1-carboxamide; oxalic acid Formula: C21H20N4O6S MolecularWeight: 456.4717

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O2S.C2H2O4/c1-20-19(25)22-11-16(15-6-2-3-7-17(15)22)18(24)13-10-23(26-12-13)14-5-4-8-21-9-14;3-1(4)2(5)6/h2-9,11,13H,10,12H2,1H3,(H,20,25);(H,3,4)(H,5,6)