6-[2,5-dimethyl-3-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate

Systemtic Name: 6-[2,5-dimethyl-3-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Openeye Name: 6-[2,5-dimethyl-3-[2-(phenoxymethyl)thiazol-4-yl]pyrrol-1-yl]hexanoate CAS Name: 6-[2,5-dimethyl-3-[2-(phenoxymethyl)-4-thiazolyl]-1-pyrrolyl]hexanoate IUPAC Name: 6-[2,5-dimethyl-3-[2-(phenoxymethyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Traditional Name: 6-[2,5-dimethyl-3-[2-(phenoxymethyl)thiazol-4-yl]pyrrol-1-yl]hexanoate Formula: C22H25N2O3S- MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCCCC(=O)[O-])C)C2=CSC(=N2)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCCCC(=O)[O-])C)C2=CSC(=N2)COC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-16-13-19(17(2)24(16)12-8-4-7-11-22(25)26)20-15-28-21(23-20)14-27-18-9-5-3-6-10-18/h3,5-6,9-10,13,15H,4,7-8,11-12,14H2,1-2H3,(H,25,26)/p-1