(E)-but-2-enedioic acid; 2-(3-methylthiophen-2-yl)-1-phenyl-propan-2-amine

Systemtic Name: (E)-but-2-enedioic acid; 2-(3-methylthiophen-2-yl)-1-phenyl-propan-2-amine Openeye Name: fumaric acid; 2-(3-methyl-2-thienyl)-1-phenyl-propan-2-amine CAS Name: (E)-2-butenedioic acid; 2-(3-methyl-2-thiophenyl)-1-phenyl-2-propanamine IUPAC Name: (E)-but-2-enedioic acid; 2-(3-methylthiophen-2-yl)-1-phenylpropan-2-amine Traditional Name: fumaric acid; [1-methyl-1-(3-methyl-2-thienyl)-2-phenyl-ethyl]amine Formula: C18H21NO4S MolecularWeight: 347.42864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C)(CC2=CC=CC=C2)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC1=C(SC=C1)C(C)(CC2=CC=CC=C2)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C14H17NS.C4H4O4/c1-11-8-9-16-13(11)14(2,15)10-12-6-4-3-5-7-12;5-3(6)1-2-4(7)8/h3-9H,10,15H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+