[2-(2-nonyl-2H-1,3,4-thiadiazol-3-yl)phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [2-(2-nonyl-2H-1,3,4-thiadiazol-3-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [2-(2-nonyl-2H-1,3,4-thiadiazol-3-yl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [2-(2-nonyl-2H-1,3,4-thiadiazol-3-yl)phenyl] ester IUPAC Name: [2-(2-nonyl-2H-1,3,4-thiadiazol-3-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [2-(2-nonyl-2H-1,3,4-thiadiazol-3-yl)phenyl] ester Formula: C22H33ClN2O2S MolecularWeight: 425.02762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1N(N=CS1)C2=CC=CC=C2OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCCCC1N(N=CS1)C2=CC=CC=C2OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C22H33ClN2O2S/c1-4-5-6-7-8-9-10-15-20-25(24-16-28-20)18-13-11-12-14-19(18)27-22(26)21(23)17(2)3/h11-14,16-17,20-21H,4-10,15H2,1-3H3