ethanedioic acid; 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol

Systemtic Name: ethanedioic acid; 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol Openeye Name: 1-(3-methylphenoxy)-3-[methyl(2-thienylmethyl)amino]propan-2-ol; oxalic acid CAS Name: 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]-2-propanol; oxalic acid IUPAC Name: 1-(3-methylphenoxy)-3-[methyl(thiophen-2-ylmethyl)amino]propan-2-ol; oxalic acid Traditional Name: 1-(3-methylphenoxy)-3-[methyl(2-thenyl)amino]propan-2-ol; oxalic acid Formula: C18H23NO6S MolecularWeight: 381.44332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(CN(C)CC2=CC=CS2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC(=CC=C1)OCC(CN(C)CC2=CC=CS2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H21NO2S.C2H2O4/c1-13-5-3-6-15(9-13)19-12-14(18)10-17(2)11-16-7-4-8-20-16;3-1(4)2(5)6/h3-9,14,18H,10-12H2,1-2H3;(H,3,4)(H,5,6)