(E)-4-oxidanylidene-4-(1-sulfanylethylamino)but-2-enoic acid

Systemtic Name: (E)-4-oxidanylidene-4-(1-sulfanylethylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(1-sulfanylethylamino)but-2-enoic acid CAS Name: (E)-4-(1-mercaptoethylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1-sulfanylethylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(1-mercaptoethylamino)but-2-enoic acid Formula: C6H9NO3S MolecularWeight: 175.20556

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Descriptors Computed from Structure

Canonical SMILES:

CC(NC(=O)C=CC(=O)O)S

Isomeric SMILES

CC(NC(=O)/C=C/C(=O)O)S

InChI

InChI=1S/C6H9NO3S/c1-4(11)7-5(8)2-3-6(9)10/h2-4,11H,1H3,(H,7,8)(H,9,10)/b3-2+