sodium 2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-oxazolidin-5-yl)prop-1-enyl 3-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonate

Systemtic Name: sodium 2-(3-ethyl-4-oxidanylidene-2-sulfanylidene-1,3-oxazolidin-5-yl)prop-1-enyl 3-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonate Openeye Name: sodium 2-(3-ethyl-4-oxo-2-thioxo-oxazolidin-5-yl)prop-1-enyl 3-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonate CAS Name: sodium 3-(2H-1,3-benzoxazol-3-yl)-1-propanesulfonic acid IUPAC Name: sodium 2-(3-ethyl-4-oxo-2-sulfanylidene-1,3-oxazolidin-5-yl)prop-1-enyl 3-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonate Traditional Name: sodium 3-(2H-1,3-benzoxazol-3-yl)propane-1-sulfonic acid 2-(3-ethyl-4-keto-2-thioxo-oxazolidin-5-yl)prop-1-enyl ester Formula: C18H22N2NaO6S2+ MolecularWeight: 449.49685

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(OC1=S)C(=COS(=O)(=O)CCCN2COC3=CC=CC=C32)C.[Na+]

Isomeric SMILES

CCN1C(=O)C(OC1=S)C(=COS(=O)(=O)CCCN2COC3=CC=CC=C32)C.[Na+]

InChI

InChI=1S/C18H22N2O6S2.Na/c1-3-20-17(21)16(26-18(20)27)13(2)11-25-28(22,23)10-6-9-19-12-24-15-8-5-4-7-14(15)19;/h4-5,7-8,11,16H,3,6,9-10,12H2,1-2H3;/q;+1