(E)-but-2-enedioic acid; N,N-dimethyl-1-(2-phenyl-1,3-thiazol-5-yl)methanamine

Systemtic Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(2-phenyl-1,3-thiazol-5-yl)methanamine Openeye Name: N,N-dimethyl-1-(2-phenylthiazol-5-yl)methanamine; fumaric acid CAS Name: (E)-2-butenedioic acid; N,N-dimethyl-1-(2-phenyl-5-thiazolyl)methanamine IUPAC Name: (E)-but-2-enedioic acid; N,N-dimethyl-1-(2-phenyl-1,3-thiazol-5-yl)methanamine Traditional Name: dimethyl-[(2-phenylthiazol-5-yl)methyl]amine; fumaric acid Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CN=C(S1)C2=CC=CC=C2.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CN(C)CC1=CN=C(S1)C2=CC=CC=C2.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C12H14N2S.C4H4O4/c1-14(2)9-11-8-13-12(15-11)10-6-4-3-5-7-10;5-3(6)1-2-4(7)8/h3-8H,9H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+