(5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]methanolate

Systemtic Name: (5-azanylidene-3-methyl-1,2-oxazol-4-ylidene)-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]methanolate Openeye Name: (5-imino-3-methyl-isoxazol-4-ylidene)-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethoxy]methanolate CAS Name: (5-imino-3-methyl-4-isoxazolylidene)-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]methanolate IUPAC Name: (5-imino-3-methyl-1,2-oxazol-4-ylidene)-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethoxy]methanolate Traditional Name: (5-imino-3-methyl-2-isoxazolin-4-ylidene)-[2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethoxy]methanolate Formula: C13H14N3O4S- MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=N)C1=C([O-])OCC(=O)NC(C)C2=CC=CS2

Isomeric SMILES

CC1=NOC(=N)C1=C([O-])OCC(=O)N[C@H](C)C2=CC=CS2

InChI

InChI=1S/C13H15N3O4S/c1-7(9-4-3-5-21-9)15-10(17)6-19-13(18)11-8(2)16-20-12(11)14/h3-5,7,14,18H,6H2,1-2H3,(H,15,17)/p-1/t7-/m1/s1