(2,4,6-trimethylphenyl) 2-oxidanylidene-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-sulfonate

Systemtic Name: (2,4,6-trimethylphenyl) 2-oxidanylidene-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-sulfonate Openeye Name: (2,4,6-trimethylphenyl) 2-oxo-5-(phenylsulfanylmethyl)oxazolidine-3-sulfonate CAS Name: 2-oxo-5-[(phenylthio)methyl]-3-oxazolidinesulfonic acid (2,4,6-trimethylphenyl) ester IUPAC Name: (2,4,6-trimethylphenyl) 2-oxo-5-(phenylsulfanylmethyl)-1,3-oxazolidine-3-sulfonate Traditional Name: 2-keto-5-[(phenylthio)methyl]oxazolidine-3-sulfonic acid mesityl ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OS(=O)(=O)N2CC(OC2=O)CSC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OS(=O)(=O)N2CC(OC2=O)CSC3=CC=CC=C3)C

InChI

InChI=1S/C19H21NO5S2/c1-13-9-14(2)18(15(3)10-13)25-27(22,23)20-11-16(24-19(20)21)12-26-17-7-5-4-6-8-17/h4-10,16H,11-12H2,1-3H3