ethanedioic acid; (7-methyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone

Systemtic Name: ethanedioic acid; (7-methyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone Openeye Name: (7-methyl-1H-indol-3-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid CAS Name: (7-methyl-1H-indol-3-yl)-[2-(3-pyridinyl)-4-isothiazolidinyl]methanone; oxalic acid IUPAC Name: (7-methyl-1H-indol-3-yl)-(2-pyridin-3-yl-1,2-thiazolidin-4-yl)methanone; oxalic acid Traditional Name: (7-methyl-1H-indol-3-yl)-[2-(3-pyridyl)isothiazolidin-4-yl]methanone; oxalic acid Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC=C2C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC=CC2=C1NC=C2C(=O)C3CN(SC3)C4=CN=CC=C4.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H17N3OS.C2H2O4/c1-12-4-2-6-15-16(9-20-17(12)15)18(22)13-10-21(23-11-13)14-5-3-7-19-8-14;3-1(4)2(5)6/h2-9,13,20H,10-11H2,1H3;(H,3,4)(H,5,6)