[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-(5-dodecoxy-1,3,4-thiadiazol-2-yl)benzoate

Systemtic Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-(5-dodecoxy-1,3,4-thiadiazol-2-yl)benzoate Openeye Name: [4-[(1S)-1-methylheptoxy]carbonylphenyl] 4-(5-dodecoxy-1,3,4-thiadiazol-2-yl)benzoate CAS Name: 4-(5-dodecoxy-1,3,4-thiadiazol-2-yl)benzoic acid [4-[[(2S)-octan-2-yl]oxy-oxomethyl]phenyl] ester IUPAC Name: [4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-(5-dodecoxy-1,3,4-thiadiazol-2-yl)benzoate Traditional Name: 4-(5-lauryloxy-1,3,4-thiadiazol-2-yl)benzoic acid [4-[(1S)-1-methylheptoxy]carbonylphenyl] ester Formula: C36H50N2O5S MolecularWeight: 622.8576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=NN=C(S1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)OC(C)CCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=NN=C(S1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)C(=O)O[C@@H](C)CCCCCC

InChI

InChI=1S/C36H50N2O5S/c1-4-6-8-10-11-12-13-14-15-17-27-41-36-38-37-33(44-36)29-19-21-30(22-20-29)35(40)43-32-25-23-31(24-26-32)34(39)42-28(3)18-16-9-7-5-2/h19-26,28H,4-18,27H2,1-3H3/t28-/m0/s1