sodium 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxidanylidene-pent-2-enylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]propane-1-sulfonate

Systemtic Name: sodium 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxidanylidene-pent-2-enylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]propane-1-sulfonate Openeye Name: sodium 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxo-pent-2-enylidene]-4,4-dimethyl-oxazolidin-3-yl]propane-1-sulfonate CAS Name: sodium 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxopent-2-enylidene]-4,4-dimethyl-3-oxazolidinyl]-1-propanesulfonate IUPAC Name: sodium 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxopent-2-enylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]propane-1-sulfonate Traditional Name: sodium 3-[(2E)-2-[(E)-3-carbethoxy-4-keto-pent-2-enylidene]-4,4-dimethyl-oxazolidin-3-yl]propane-1-sulfonate Formula: C16H24NNaO7S MolecularWeight: 397.41903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C1N(C(CO1)(C)C)CCCS(=O)(=O)[O-])C(=O)C.[Na+]

Isomeric SMILES

CCOC(=O)/C(=C/C=C/1\N(C(CO1)(C)C)CCCS(=O)(=O)[O-])/C(=O)C.[Na+]

InChI

InChI=1S/C16H25NO7S.Na/c1-5-23-15(19)13(12(2)18)7-8-14-17(16(3,4)11-24-14)9-6-10-25(20,21)22;/h7-8H,5-6,9-11H2,1-4H3,(H,20,21,22);/q;+1/p-1/b13-7+,14-8+;