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: 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: 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: 3-(2H-1,3-benzoxazol-3-yl)-1-propanesulfonic acid IUPAC Name: 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: 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: C18H22N2O6S2 MolecularWeight: 426.50708

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(OC1=S)C(=COS(=O)(=O)CCCN2COC3=CC=CC=C32)C

Isomeric SMILES

CCN1C(=O)C(OC1=S)C(=COS(=O)(=O)CCCN2COC3=CC=CC=C32)C

InChI

InChI=1S/C18H22N2O6S2/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