(2E)-4-azanyl-2-[(5-bromanylthiophen-2-yl)methylidene]-3-oxidanylidene-butanoic acid

Systemtic Name: (2E)-4-azanyl-2-[(5-bromanylthiophen-2-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-4-amino-2-[(5-bromo-2-thienyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-4-amino-2-[(5-bromo-2-thiophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-4-amino-2-[(5-bromothiophen-2-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-3-(5-bromo-2-thienyl)-2-glycyl-acrylic acid Formula: C9H8BrNO3S MolecularWeight: 290.13372

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(SC(=C1)Br)C=C(C(=O)CN)C(=O)O

Isomeric SMILES

C1=C(SC(=C1)Br)/C=C(\C(=O)CN)/C(=O)O

InChI

InChI=1S/C9H8BrNO3S/c10-8-2-1-5(15-8)3-6(9(13)14)7(12)4-11/h1-3H,4,11H2,(H,13,14)/b6-3+