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

Systemtic Name: 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxidanylidene-pent-2-enylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxo-pent-2-enylidene]-4,4-dimethyl-oxazolidin-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxopent-2-enylidene]-4,4-dimethyl-3-oxazolidinyl]-1-propanesulfonic acid IUPAC Name: 3-[(2E)-2-[(E)-3-ethoxycarbonyl-4-oxopent-2-enylidene]-4,4-dimethyl-1,3-oxazolidin-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2E)-2-[(E)-3-carbethoxy-4-keto-pent-2-enylidene]-4,4-dimethyl-oxazolidin-3-yl]propane-1-sulfonic acid Formula: C16H25NO7S MolecularWeight: 375.4372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC=C1N(C(CO1)(C)C)CCCS(=O)(=O)O)C(=O)C

Isomeric SMILES

CCOC(=O)/C(=C/C=C/1\N(C(CO1)(C)C)CCCS(=O)(=O)O)/C(=O)C

InChI

InChI=1S/C16H25NO7S/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)/b13-7+,14-8+