ethyl 3-[4-[3-(2-benzamidoethylamino)-2-oxidanyl-propoxy]-1,2,5-thiadiazol-3-yl]butanoate

Systemtic Name: ethyl 3-[4-[3-(2-benzamidoethylamino)-2-oxidanyl-propoxy]-1,2,5-thiadiazol-3-yl]butanoate Openeye Name: ethyl 3-[4-[3-(2-benzamidoethylamino)-2-hydroxy-propoxy]-1,2,5-thiadiazol-3-yl]butanoate CAS Name: 3-[4-[3-(2-benzamidoethylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]butanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(2-benzamidoethylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]butanoate Traditional Name: 3-[4-[3-(2-benzamidoethylamino)-2-hydroxy-propoxy]-1,2,5-thiadiazol-3-yl]butyric acid ethyl ester Formula: C20H28N4O5S MolecularWeight: 436.52512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(C)C1=NSN=C1OCC(CNCCNC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)CC(C)C1=NSN=C1OCC(CNCCNC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C20H28N4O5S/c1-3-28-17(26)11-14(2)18-20(24-30-23-18)29-13-16(25)12-21-9-10-22-19(27)15-7-5-4-6-8-15/h4-8,14,16,21,25H,3,9-13H2,1-2H3,(H,22,27)