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

Systemtic Name: methyl 3-[4-[3-(1-acetamidoethylamino)-2-oxidanyl-propoxy]-1,2,5-thiadiazol-3-yl]propanoate Openeye Name: methyl 3-[4-[3-(1-acetamidoethylamino)-2-hydroxy-propoxy]-1,2,5-thiadiazol-3-yl]propanoate CAS Name: 3-[4-[3-(1-acetamidoethylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[3-(1-acetamidoethylamino)-2-hydroxypropoxy]-1,2,5-thiadiazol-3-yl]propanoate Traditional Name: 3-[4-[3-(1-acetamidoethylamino)-2-hydroxy-propoxy]-1,2,5-thiadiazol-3-yl]propionic acid methyl ester Formula: C13H22N4O5S MolecularWeight: 346.40258

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Descriptors Computed from Structure

Canonical SMILES:

CC(NCC(COC1=NSN=C1CCC(=O)OC)O)NC(=O)C

Isomeric SMILES

CC(NCC(COC1=NSN=C1CCC(=O)OC)O)NC(=O)C

InChI

InChI=1S/C13H22N4O5S/c1-8(15-9(2)18)14-6-10(19)7-22-13-11(16-23-17-13)4-5-12(20)21-3/h8,10,14,19H,4-7H2,1-3H3,(H,15,18)