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

Systemtic Name: ethanedioic acid; N-[[2-(4-ethoxy-3-methoxy-phenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine Openeye Name: N-[[2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl]propan-1-amine; oxalic acid CAS Name: N-[[2-(4-ethoxy-3-methoxyphenyl)-4-thiazolyl]methyl]-1-propanamine; oxalic acid IUPAC Name: N-[[2-(4-ethoxy-3-methoxyphenyl)-1,3-thiazol-4-yl]methyl]propan-1-amine; oxalic acid Traditional Name: [2-(4-ethoxy-3-methoxy-phenyl)thiazol-4-yl]methyl-propyl-amine; oxalic acid Formula: C18H24N2O6S MolecularWeight: 396.45796

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCC1=CSC(=N1)C2=CC(=C(C=C2)OCC)OC.C(=O)(C(=O)O)O

Isomeric SMILES

CCCNCC1=CSC(=N1)C2=CC(=C(C=C2)OCC)OC.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H22N2O2S.C2H2O4/c1-4-8-17-10-13-11-21-16(18-13)12-6-7-14(20-5-2)15(9-12)19-3;3-1(4)2(5)6/h6-7,9,11,17H,4-5,8,10H2,1-3H3;(H,3,4)(H,5,6)