(E)-but-2-enedioic acid; 3-methyl-5-[1-(2-phenoxypropan-2-ylamino)ethyl]-4-phenyl-1,3-thiazole-2-thione

Systemtic Name: (E)-but-2-enedioic acid; 3-methyl-5-[1-(2-phenoxypropan-2-ylamino)ethyl]-4-phenyl-1,3-thiazole-2-thione Openeye Name: fumaric acid; 3-methyl-5-[1-[(1-methyl-1-phenoxy-ethyl)amino]ethyl]-4-phenyl-thiazole-2-thione CAS Name: (E)-2-butenedioic acid; 3-methyl-5-[1-(2-phenoxypropan-2-ylamino)ethyl]-4-phenyl-2-thiazolethione IUPAC Name: (E)-but-2-enedioic acid; 3-methyl-5-[1-(2-phenoxypropan-2-ylamino)ethyl]-4-phenyl-1,3-thiazole-2-thione Traditional Name: fumaric acid; 3-methyl-5-[1-[(1-methyl-1-phenoxy-ethyl)amino]ethyl]-4-phenyl-4-thiazoline-2-thione Formula: C25H28N2O5S2 MolecularWeight: 500.63022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(N(C(=S)S1)C)C2=CC=CC=C2)NC(C)(C)OC3=CC=CC=C3.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC(C1=C(N(C(=S)S1)C)C2=CC=CC=C2)NC(C)(C)OC3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C21H24N2OS2.C4H4O4/c1-15(22-21(2,3)24-17-13-9-6-10-14-17)19-18(23(4)20(25)26-19)16-11-7-5-8-12-16;5-3(6)1-2-4(7)8/h5-15,22H,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1+