ethanedioic acid; (6-methoxy-1H-indol-2-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone

Systemtic Name: ethanedioic acid; (6-methoxy-1H-indol-2-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Openeye Name: (6-methoxy-1H-indol-2-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid CAS Name: (6-methoxy-1H-indol-2-yl)-[2-(3-pyridinyl)-4-isothiazolidinyl]methanone; oxalic acid IUPAC Name: (6-methoxy-1H-indol-2-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone; oxalic acid Traditional Name: (6-methoxy-1H-indol-2-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N2)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17N3O2S.C2H2O4/c1-23-15-5-4-12-7-17(20-16(12)8-15)18(22)13-10-21(24-11-13)14-3-2-6-19-9-14;3-1(4)2(5)6/h2-9,13,20H,10-11H2,1H3;(H,3,4)(H,5,6)