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

Systemtic Name: 4-[[5-[2-(4-heptoxyphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Openeye Name: 4-[[5-[2-(4-heptoxyphenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate CAS Name: 4-[[5-[[2-(4-heptoxyphenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]thio]butanoate IUPAC Name: 4-[[5-[2-(4-heptoxyphenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]butanoate Traditional Name: 4-[[5-[[2-(4-heptoxyphenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]thio]butyrate Formula: C21H27N2O4S3- MolecularWeight: 467.64508

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCCCC(=O)[O-]

InChI

InChI=1S/C21H28N2O4S3/c1-2-3-4-5-6-13-27-17-11-9-16(10-12-17)18(24)15-29-21-23-22-20(30-21)28-14-7-8-19(25)26/h9-12H,2-8,13-15H2,1H3,(H,25,26)/p-1