[1-(4-methoxyphenyl)sulfanylpropan-2-ylamino]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: [1-(4-methoxyphenyl)sulfanylpropan-2-ylamino]azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: (Z)-4-hydroxy-4-oxo-but-2-enoate; [[2-(4-methoxyphenyl)sulfanyl-1-methyl-ethyl]amino]ammonium CAS Name: (Z)-4-hydroxy-4-oxo-2-butenoate; [1-[(4-methoxyphenyl)thio]propan-2-ylamino]ammonium IUPAC Name: (Z)-4-hydroxy-4-oxobut-2-enoate; [1-(4-methoxyphenyl)sulfanylpropan-2-ylamino]azanium Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; [[2-[(4-methoxyphenyl)thio]-1-methyl-ethyl]amino]ammonium Formula: C14H20N2O5S MolecularWeight: 328.384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2OS.C4H4O4/c1-8(12-11)7-14-10-5-3-9(13-2)4-6-10;5-3(6)1-2-4(7)8/h3-6,8,12H,7,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-