3-[2,5-bis(chloranyl)phenoxy]-N-methyl-4-thiophen-2-yl-butan-1-amine; (E)-but-2-enedioic acid

Systemtic Name: 3-[2,5-bis(chloranyl)phenoxy]-N-methyl-4-thiophen-2-yl-butan-1-amine; (E)-but-2-enedioic acid Openeye Name: 3-(2,5-dichlorophenoxy)-N-methyl-4-(2-thienyl)butan-1-amine; fumaric acid CAS Name: (E)-2-butenedioic acid; 3-(2,5-dichlorophenoxy)-N-methyl-4-thiophen-2-yl-1-butanamine IUPAC Name: (E)-but-2-enedioic acid; 3-(2,5-dichlorophenoxy)-N-methyl-4-thiophen-2-ylbutan-1-amine Traditional Name: [3-(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:

CNCCC(CC1=CC=CS1)OC2=C(C=CC(=C2)Cl)Cl.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CNCCC(CC1=CC=CS1)OC2=C(C=CC(=C2)Cl)Cl.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C15H17Cl2NOS.C4H4O4/c1-18-7-6-12(10-13-3-2-8-20-13)19-15-9-11(16)4-5-14(15)17;5-3(6)1-2-4(7)8/h2-5,8-9,12,18H,6-7,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+