ethanedioic acid; (2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl nonanoate

Systemtic Name: ethanedioic acid; (2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl nonanoate Openeye Name: (2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl nonanoate; oxalic acid CAS Name: nonanoic acid (2-methyl-1-imidazo[2,1-b][1,3]benzothiazolyl)methyl ester; oxalic acid IUPAC Name: (2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl nonanoate; oxalic acid Traditional Name: oxalic acid; pelargonic acid (2-methylimidazo[2,1-b][1,3]benzothiazol-1-yl)methyl ester Formula: C22H28N2O6S MolecularWeight: 448.53252

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OCC1=C(N=C2N1C3=CC=CC=C3S2)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCCCC(=O)OCC1=C(N=C2N1C3=CC=CC=C3S2)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C20H26N2O2S.C2H2O4/c1-3-4-5-6-7-8-13-19(23)24-14-17-15(2)21-20-22(17)16-11-9-10-12-18(16)25-20;3-1(4)2(5)6/h9-12H,3-8,13-14H2,1-2H3;(H,3,4)(H,5,6)