(E)-4-oxidanylidene-4-(2-sulfanylethylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(2-sulfanylethylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(2-sulfanylethylamino)but-2-enoic acid CAS Name: (E)-4-(2-mercaptoethylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(2-sulfanylethylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(2-mercaptoethylamino)but-2-enoic acid Formula: C6H9NO3S MolecularWeight: 175.20556

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Descriptors Computed from Structure

Canonical SMILES:

C(CS)NC(=O)C=CC(=O)O

Isomeric SMILES

C(CS)NC(=O)/C=C/C(=O)O

InChI

InChI=1S/C6H9NO3S/c8-5(7-3-4-11)1-2-6(9)10/h1-2,11H,3-4H2,(H,7,8)(H,9,10)/b2-1+