(Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (1-phenylsulfanylpropan-2-ylamino)azanium

Systemtic Name: (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate; (1-phenylsulfanylpropan-2-ylamino)azanium Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; [(1-methyl-2-phenylsulfanyl-ethyl)amino]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [1-(phenylthio)propan-2-ylamino]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; (1-phenylsulfanylpropan-2-ylamino)azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [[1-methyl-2-(phenylthio)ethyl]amino]ammonium Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=CC=CC=C1)N[NH3+].C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC(CSC1=CC=CC=C1)N[NH3+].C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C9H14N2S.C4H4O4/c1-8(11-10)7-12-9-5-3-2-4-6-9;5-3(6)1-2-4(7)8/h2-6,8,11H,7,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-