4-[2,5-bis(chloranyl)phenoxy]-N-methyl-4-thiophen-2-yl-butan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 4-[2,5-bis(chloranyl)phenoxy]-N-methyl-4-thiophen-2-yl-butan-1-amine; (E)-but-2-enedioic acid Openeye Name: 4-(2,5-dichlorophenoxy)-N-methyl-4-(2-thienyl)butan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 4-(2,5-dichlorophenoxy)-N-methyl-4-thiophen-2-yl-1-butanamine IUPAC Name: (E)-but-2-enedioic acid; 4-(2,5-dichlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-1-amine Traditional Name: [4-(2,5-dichlorophenoxy)-4-(2-thienyl)butyl]-methyl-amine; fumaric acid Formula: C19H21Cl2NO5S MolecularWeight: 446.34474

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Descriptors Computed from Structure

Canonical SMILES:

CNCCCC(C1=CC=CS1)OC2=C(C=CC(=C2)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCCC(C1=CC=CS1)OC2=C(C=CC(=C2)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17Cl2NOS.C4H4O4/c1-18-8-2-4-13(15-5-3-9-20-15)19-14-10-11(16)6-7-12(14)17;5-3(6)1-2-4(7)8/h3,5-7,9-10,13,18H,2,4,8H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+