sodium 2-[[(Z)-(5-ethyl-2-sulfanylidene-thiophen-3-ylidene)methyl]amino]ethanoate hydrate

Systemtic Name: sodium 2-[[(Z)-(5-ethyl-2-sulfanylidene-thiophen-3-ylidene)methyl]amino]ethanoate hydrate Openeye Name: sodium 2-[[(Z)-(5-ethyl-2-thioxo-3-thienylidene)methyl]amino]acetate hydrate CAS Name: sodium 2-[[(Z)-(5-ethyl-2-sulfanylidene-3-thiophenylidene)methyl]amino]acetate hydrate IUPAC Name: sodium 2-[[(Z)-(5-ethyl-2-sulfanylidenethiophen-3-ylidene)methyl]amino]acetate hydrate Traditional Name: sodium 2-[[(Z)-(5-ethyl-2-thioxo-3-thienylidene)methyl]amino]acetate hydrate Formula: C9H12NNaO3S2 MolecularWeight: 269.31625

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CNCC(=O)[O-])C(=S)S1.O.[Na+]

Isomeric SMILES

CCC1=C/C(=C/NCC(=O)[O-])/C(=S)S1.O.[Na+]

InChI

InChI=1S/C9H11NO2S2.Na.H2O/c1-2-7-3-6(9(13)14-7)4-10-5-8(11)12;;/h3-4,10H,2,5H2,1H3,(H,11,12);;1H2/q;+1;/p-1/b6-4-;;