2-(4-ethoxyphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate

Systemtic Name: 2-(4-ethoxyphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Openeye Name: 2-(4-ethoxyphenoxy)ethyl 4-(5-methylsulfanyl-2-thioxo-1,3,4-thiadiazol-3-yl)benzoate CAS Name: 4-[5-(methylthio)-2-sulfanylidene-1,3,4-thiadiazol-3-yl]benzoic acid 2-(4-ethoxyphenoxy)ethyl ester IUPAC Name: 2-(4-ethoxyphenoxy)ethyl 4-(5-methylsulfanyl-2-sulfanylidene-1,3,4-thiadiazol-3-yl)benzoate Traditional Name: 4-[5-(methylthio)-2-thioxo-1,3,4-thiadiazol-3-yl]benzoic acid 2-(4-ethoxyphenoxy)ethyl ester Formula: C20H20N2O4S3 MolecularWeight: 448.5788

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCOC(=O)C2=CC=C(C=C2)N3C(=S)SC(=N3)SC

InChI

InChI=1S/C20H20N2O4S3/c1-3-24-16-8-10-17(11-9-16)25-12-13-26-18(23)14-4-6-15(7-5-14)22-20(27)29-19(21-22)28-2/h4-11H,3,12-13H2,1-2H3