ethanedioic acid; N-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine

Systemtic Name: ethanedioic acid; N-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine Openeye Name: N-[[3-methoxy-4-[(2-methylthiazol-4-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine; oxalic acid CAS Name: N-[[3-methoxy-4-[(2-methyl-4-thiazolyl)methoxy]phenyl]methyl]-2-propyn-1-amine; oxalic acid IUPAC Name: N-[[3-methoxy-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methyl]prop-2-yn-1-amine; oxalic acid Traditional Name: [3-methoxy-4-[(2-methylthiazol-4-yl)methoxy]benzyl]-propargyl-amine; oxalic acid Formula: C18H20N2O6S MolecularWeight: 392.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC2=C(C=C(C=C2)CNCC#C)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=NC(=CS1)COC2=C(C=C(C=C2)CNCC#C)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H18N2O2S.C2H2O4/c1-4-7-17-9-13-5-6-15(16(8-13)19-3)20-10-14-11-21-12(2)18-14;3-1(4)2(5)6/h1,5-6,8,11,17H,7,9-10H2,2-3H3;(H,3,4)(H,5,6)