ethanedioic acid; N-[4-[2-(2-hydroxyethylamino)ethylsulfanyl]phenyl]ethanamide

Systemtic Name: ethanedioic acid; N-[4-[2-(2-hydroxyethylamino)ethylsulfanyl]phenyl]ethanamide Openeye Name: N-[4-[2-(2-hydroxyethylamino)ethylsulfanyl]phenyl]acetamide; oxalic acid CAS Name: N-[4-[2-(2-hydroxyethylamino)ethylthio]phenyl]acetamide; oxalic acid IUPAC Name: N-[4-[2-(2-hydroxyethylamino)ethylsulfanyl]phenyl]acetamide; oxalic acid Traditional Name: N-[4-[2-(2-hydroxyethylamino)ethylthio]phenyl]acetamide; oxalic acid Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCCNCCO.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCCNCCO.C(=O)(C(=O)O)O

InChI

InChI=1S/C12H18N2O2S.C2H2O4/c1-10(16)14-11-2-4-12(5-3-11)17-9-7-13-6-8-15;3-1(4)2(5)6/h2-5,13,15H,6-9H2,1H3,(H,14,16);(H,3,4)(H,5,6)