sodium [4-[[(E)-2-cyanoethenyl]-ethanethioyl-amino]-3-oxidanylidene-1,2-oxazolidin-2-yl] 5-oxidanylideneoxolane-2-carboxylate

Systemtic Name: sodium [4-[[(E)-2-cyanoethenyl]-ethanethioyl-amino]-3-oxidanylidene-1,2-oxazolidin-2-yl] 5-oxidanylideneoxolane-2-carboxylate Openeye Name: sodium [4-[[(E)-2-cyanovinyl]-ethanethioyl-amino]-3-oxo-isoxazolidin-2-yl] 5-oxotetrahydrofuran-2-carboxylate CAS Name: sodium 5-oxo-2-oxolanecarboxylic acid [4-[[(E)-2-cyanoethenyl]-(1-sulfanylideneethyl)amino]-3-oxo-2-isoxazolidinyl] ester IUPAC Name: sodium [4-[[(E)-2-cyanoethenyl]-ethanethioylamino]-3-oxo-1,2-oxazolidin-2-yl] 5-oxooxolane-2-carboxylate Traditional Name: sodium 5-ketotetrahydrofuran-2-carboxylic acid [4-[[(E)-2-cyanovinyl]-thioacetyl-amino]-3-keto-isoxazolidin-2-yl] ester Formula: C13H13N3NaO6S+ MolecularWeight: 362.31359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)N(C=CC#N)C1CON(C1=O)OC(=O)C2CCC(=O)O2.[Na+]

Isomeric SMILES

CC(=S)N(/C=C/C#N)C1CON(C1=O)OC(=O)C2CCC(=O)O2.[Na+]

InChI

InChI=1S/C13H13N3O6S.Na/c1-8(23)15(6-2-5-14)9-7-20-16(12(9)18)22-13(19)10-3-4-11(17)21-10;/h2,6,9-10H,3-4,7H2,1H3;/q;+1/b6-2+;