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

Systemtic Name: (2E)-4-azanyl-2-[(4-bromanylthiophen-2-yl)methylidene]-3-oxidanylidene-butanoic acid Openeye Name: (2E)-4-amino-2-[(4-bromo-2-thienyl)methylene]-3-oxo-butanoic acid CAS Name: (2E)-4-amino-2-[(4-bromo-2-thiophenyl)methylidene]-3-oxobutanoic acid IUPAC Name: (2E)-4-amino-2-[(4-bromothiophen-2-yl)methylidene]-3-oxobutanoic acid Traditional Name: (E)-3-(4-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=C1Br)C=C(C(=O)CN)C(=O)O

Isomeric SMILES

C1=C(SC=C1Br)/C=C(\C(=O)CN)/C(=O)O

InChI

InChI=1S/C9H8BrNO3S/c10-5-1-6(15-4-5)2-7(9(13)14)8(12)3-11/h1-2,4H,3,11H2,(H,13,14)/b7-2+