ethanedioic acid; 1-[4-[2-oxidanyl-3-(thiophen-2-ylmethylamino)propoxy]phenyl]ethanone

Systemtic Name: ethanedioic acid; 1-[4-[2-oxidanyl-3-(thiophen-2-ylmethylamino)propoxy]phenyl]ethanone Openeye Name: 1-[4-[2-hydroxy-3-(2-thienylmethylamino)propoxy]phenyl]ethanone; oxalic acid CAS Name: 1-[4-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]phenyl]ethanone; oxalic acid IUPAC Name: 1-[4-[2-hydroxy-3-(thiophen-2-ylmethylamino)propoxy]phenyl]ethanone; oxalic acid Traditional Name: 1-[4-[2-hydroxy-3-(2-thenylamino)propoxy]phenyl]ethanone; oxalic acid Formula: C18H21NO7S MolecularWeight: 395.42684

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC=CS2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC(CNCC2=CC=CS2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H19NO3S.C2H2O4/c1-12(18)13-4-6-15(7-5-13)20-11-14(19)9-17-10-16-3-2-8-21-16;3-1(4)2(5)6/h2-8,14,17,19H,9-11H2,1H3;(H,3,4)(H,5,6)