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

Systemtic Name: methyl 6-[2,5-dimethyl-3-[2-(2-phenylhydrazinyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Openeye Name: methyl 6-[2,5-dimethyl-3-[2-(2-phenylhydrazino)thiazol-4-yl]pyrrol-1-yl]hexanoate CAS Name: 6-[2,5-dimethyl-3-[2-(phenylhydrazo)-4-thiazolyl]-1-pyrrolyl]hexanoic acid methyl ester IUPAC Name: methyl 6-[2,5-dimethyl-3-[2-(2-phenylhydrazinyl)-1,3-thiazol-4-yl]pyrrol-1-yl]hexanoate Traditional Name: 6-[2,5-dimethyl-3-[2-(N'-phenylhydrazino)thiazol-4-yl]pyrrol-1-yl]hexanoic acid methyl ester Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCCCC(=O)OC)C)C2=CSC(=N2)NNC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(N1CCCCCC(=O)OC)C)C2=CSC(=N2)NNC3=CC=CC=C3

InChI

InChI=1S/C22H28N4O2S/c1-16-14-19(17(2)26(16)13-9-5-8-12-21(27)28-3)20-15-29-22(23-20)25-24-18-10-6-4-7-11-18/h4,6-7,10-11,14-15,24H,5,8-9,12-13H2,1-3H3,(H,23,25)