[4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate

Systemtic Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 2-chloranyl-3-methyl-butanoate Openeye Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 2-chloro-3-methyl-butanoate CAS Name: 2-chloro-3-methylbutanoic acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] 2-chloro-3-methylbutanoate Traditional Name: 2-chloro-3-methyl-butyric acid [4-(5-heptyl-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C20H27ClN2O2S MolecularWeight: 394.95858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

Isomeric SMILES

CCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(=O)C(C(C)C)Cl

InChI

InChI=1S/C20H27ClN2O2S/c1-4-5-6-7-8-9-17-22-23-19(26-17)15-10-12-16(13-11-15)25-20(24)18(21)14(2)3/h10-14,18H,4-9H2,1-3H3