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

Systemtic Name: ethyl 3-[4-[3-(2-benzamidoethylamino)-2-oxidanyl-propoxy]-1,2,5-thiadiazol-3-yl]propanoate Openeye Name: ethyl 3-[4-[3-(2-benzamidoethylamino)-2-hydroxy-propoxy]-1,2,5-thiadiazol-3-yl]propanoate CAS Name: 3-[4-[3-(2-benzamidoethylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[4-[3-(2-benzamidoethylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]propanoate Traditional Name: 3-[4-[3-(2-benzamidoethylamino)-2-hydroxy-propoxy]-1,2,5-thiadiazol-3-yl]propionic acid ethyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=NSN=C1OCC(CNCCNC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CCOC(=O)CCC1=NSN=C1OCC(CNCCNC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C19H26N4O5S/c1-2-27-17(25)9-8-16-19(23-29-22-16)28-13-15(24)12-20-10-11-21-18(26)14-6-4-3-5-7-14/h3-7,15,20,24H,2,8-13H2,1H3,(H,21,26)