ethyl 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate

Systemtic Name: ethyl 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: ethyl 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-[(4-heptoxyphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[5-[(4-heptoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-[(4-heptoxybenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]butyric acid ethyl ester Formula: C22H32N2O3S3 MolecularWeight: 468.69608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)CSC2=NN=C(S2)SCCCC(=O)OCC

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)CSC2=NN=C(S2)SCCCC(=O)OCC

InChI

InChI=1S/C22H32N2O3S3/c1-3-5-6-7-8-15-27-19-13-11-18(12-14-19)17-29-22-24-23-21(30-22)28-16-9-10-20(25)26-4-2/h11-14H,3-10,15-17H2,1-2H3