(E)-but-2-enedioic acid; N,N-diethyl-3-phenyl-3-thiophen-2-yl-propan-1-amine

Systemtic Name: (E)-but-2-enedioic acid; N,N-diethyl-3-phenyl-3-thiophen-2-yl-propan-1-amine Openeye Name: N,N-diethyl-3-phenyl-3-(2-thienyl)propan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-diethyl-3-phenyl-3-thiophen-2-yl-1-propanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-diethyl-3-phenyl-3-thiophen-2-ylpropan-1-amine Traditional Name: diethyl-[3-phenyl-3-(2-thienyl)propyl]amine; fumaric acid Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCC(C1=CC=CC=C1)C2=CC=CS2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CCN(CC)CCC(C1=CC=CC=C1)C2=CC=CS2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C17H23NS.C4H4O4/c1-3-18(4-2)13-12-16(17-11-8-14-19-17)15-9-6-5-7-10-15;5-3(6)1-2-4(7)8/h5-11,14,16H,3-4,12-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+