2-azanyl-3-[(4-bromanyl-1-benzothiophen-2-yl)carbonylamino]propanoic acid

Systemtic Name: 2-azanyl-3-[(4-bromanyl-1-benzothiophen-2-yl)carbonylamino]propanoic acid Openeye Name: 2-amino-3-[(4-bromobenzothiophene-2-carbonyl)amino]propanoic acid CAS Name: 2-amino-3-[[(4-bromo-1-benzothiophen-2-yl)-oxomethyl]amino]propanoic acid IUPAC Name: 2-amino-3-[(4-bromo-1-benzothiophene-2-carbonyl)amino]propanoic acid Traditional Name: 2-amino-3-[(4-bromobenzothiophene-2-carbonyl)amino]propionic acid Formula: C12H11BrN2O3S MolecularWeight: 343.19634

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(S2)C(=O)NCC(C(=O)O)N)C(=C1)Br

Isomeric SMILES

C1=CC2=C(C=C(S2)C(=O)NCC(C(=O)O)N)C(=C1)Br

InChI

InChI=1S/C12H11BrN2O3S/c13-7-2-1-3-9-6(7)4-10(19-9)11(16)15-5-8(14)12(17)18/h1-4,8H,5,14H2,(H,15,16)(H,17,18)