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

Systemtic Name: methyl 3-[4-[3-(2-benzamidoethylamino)-2-oxidanyl-propoxy]-1,2,5-thiadiazol-3-yl]propanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C18H24N4O5S MolecularWeight: 408.47196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4O5S/c1-26-16(24)8-7-15-18(22-28-21-15)27-12-14(23)11-19-9-10-20-17(25)13-5-3-2-4-6-13/h2-6,14,19,23H,7-12H2,1H3,(H,20,25)