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

Systemtic Name: methyl 3-[4-[3-(2-benzamidoethylamino)-2-oxidanyl-propoxy]-1,2,5-thiadiazol-3-yl]butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H26N4O5S MolecularWeight: 422.49854

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C1=NSN=C1OCC(CNCCNC(=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(CC(=O)OC)C1=NSN=C1OCC(CNCCNC(=O)C2=CC=CC=C2)O

InChI

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