N-[(4-bromanylthiophen-2-yl)methyl]-2-phenyl-ethanamine; ethanedioic acid

Systemtic Name: N-[(4-bromanylthiophen-2-yl)methyl]-2-phenyl-ethanamine; ethanedioic acid Openeye Name: N-[(4-bromo-2-thienyl)methyl]-2-phenyl-ethanamine; oxalic acid CAS Name: N-[(4-bromo-2-thiophenyl)methyl]-2-phenylethanamine; oxalic acid IUPAC Name: N-[(4-bromothiophen-2-yl)methyl]-2-phenylethanamine; oxalic acid Traditional Name: (4-bromo-2-thienyl)methyl-phenethyl-amine; oxalic acid Formula: C15H16BrNO4S MolecularWeight: 386.26084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNCC2=CC(=CS2)Br.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CCNCC2=CC(=CS2)Br.C(=O)(C(=O)O)O

InChI

InChI=1S/C13H14BrNS.C2H2O4/c14-12-8-13(16-10-12)9-15-7-6-11-4-2-1-3-5-11;3-1(4)2(5)6/h1-5,8,10,15H,6-7,9H2;(H,3,4)(H,5,6)