2-(5-bromanyl-1-benzothiophen-3-yl)ethanamine; ethanedioic acid

Systemtic Name: 2-(5-bromanyl-1-benzothiophen-3-yl)ethanamine; ethanedioic acid Openeye Name: 2-(5-bromobenzothiophen-3-yl)ethanamine; oxalic acid CAS Name: 2-(5-bromo-1-benzothiophen-3-yl)ethanamine; oxalic acid IUPAC Name: 2-(5-bromo-1-benzothiophen-3-yl)ethanamine; oxalic acid Traditional Name: 2-(5-bromobenzothiophen-3-yl)ethylamine; oxalic acid Formula: C12H12BrNO4S MolecularWeight: 346.19698

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Br)C(=CS2)CCN.C(=O)(C(=O)O)O

Isomeric SMILES

C1=CC2=C(C=C1Br)C(=CS2)CCN.C(=O)(C(=O)O)O

InChI

InChI=1S/C10H10BrNS.C2H2O4/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10;3-1(4)2(5)6/h1-2,5-6H,3-4,12H2;(H,3,4)(H,5,6)