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

Systemtic Name: (E)-4-oxidanylidene-4-(1-sulfanylpropylamino)but-2-enoic acid Openeye Name: (E)-4-oxo-4-(1-sulfanylpropylamino)but-2-enoic acid CAS Name: (E)-4-(1-mercaptopropylamino)-4-oxo-2-butenoic acid IUPAC Name: (E)-4-oxo-4-(1-sulfanylpropylamino)but-2-enoic acid Traditional Name: (E)-4-keto-4-(1-mercaptopropylamino)but-2-enoic acid Formula: C7H11NO3S MolecularWeight: 189.23214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H11NO3S/c1-2-6(12)8-5(9)3-4-7(10)11/h3-4,6,12H,2H2,1H3,(H,8,9)(H,10,11)/b4-3+