ethanedioic acid; 1-[2-[[4-(hydroxymethyl)-2-methyl-thiophen-3-yl]amino]ethylamino]-3-phenoxy-propan-2-ol

Systemtic Name: ethanedioic acid; 1-[2-[[4-(hydroxymethyl)-2-methyl-thiophen-3-yl]amino]ethylamino]-3-phenoxy-propan-2-ol Openeye Name: 1-[2-[[4-(hydroxymethyl)-2-methyl-3-thienyl]amino]ethylamino]-3-phenoxy-propan-2-ol; oxalic acid CAS Name: 1-[2-[[4-(hydroxymethyl)-2-methyl-3-thiophenyl]amino]ethylamino]-3-phenoxy-2-propanol; oxalic acid IUPAC Name: 1-[2-[[4-(hydroxymethyl)-2-methylthiophen-3-yl]amino]ethylamino]-3-phenoxypropan-2-ol; oxalic acid Traditional Name: 1-[2-[(2-methyl-4-methylol-3-thienyl)amino]ethylamino]-3-phenoxy-propan-2-ol; oxalic acid Formula: C19H26N2O7S MolecularWeight: 426.48394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CS1)CO)NCCNCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=C(C(=CS1)CO)NCCNCC(COC2=CC=CC=C2)O.C(=O)(C(=O)O)O

InChI

InChI=1S/C17H24N2O3S.C2H2O4/c1-13-17(14(10-20)12-23-13)19-8-7-18-9-15(21)11-22-16-5-3-2-4-6-16;3-1(4)2(5)6/h2-6,12,15,18-21H,7-11H2,1H3;(H,3,4)(H,5,6)