(2S)-4-methylsulfanyl-2-[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(Z)-4-hydroxy-4-oxo-but-2-enoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[(Z)-4-hydroxy-1,4-dioxobut-2-enyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[(Z)-4-hydroxy-4-oxobut-2-enoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[(Z)-4-hydroxy-4-keto-but-2-enoyl]amino]-4-(methylthio)butyric acid Formula: C9H13NO5S MolecularWeight: 247.26822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)C=CC(=O)O

Isomeric SMILES

CSCC[C@@H](C(=O)O)NC(=O)/C=C\C(=O)O

InChI

InChI=1S/C9H13NO5S/c1-16-5-4-6(9(14)15)10-7(11)2-3-8(12)13/h2-3,6H,4-5H2,1H3,(H,10,11)(H,12,13)(H,14,15)/b3-2-/t6-/m0/s1