ethyl (2S)-2-acetyloxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoate

Systemtic Name: ethyl (2S)-2-acetyloxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoate Openeye Name: ethyl (2S)-2-acetoxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoate CAS Name: (2S)-2-acetyloxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-acetyloxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butanoate Traditional Name: (2S)-2-acetoxy-4-[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]butyric acid ethyl ester Formula: C31H48N2O5S MolecularWeight: 560.78822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCCC(C(=O)OCC)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OCC[C@@H](C(=O)OCC)OC(=O)C

InChI

InChI=1S/C31H48N2O5S/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-29-32-33-30(39-29)26-19-21-27(22-20-26)37-24-23-28(38-25(3)34)31(35)36-5-2/h19-22,28H,4-18,23-24H2,1-3H3/t28-/m0/s1