methyl 3-ethanoyl-2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine-4-carboxylate

Systemtic Name: methyl 3-ethanoyl-2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine-4-carboxylate Openeye Name: methyl 3-acetyl-2,2-dimethyl-5-(4-methylsulfanylphenyl)oxazolidine-4-carboxylate CAS Name: 3-acetyl-2,2-dimethyl-5-[4-(methylthio)phenyl]-4-oxazolidinecarboxylic acid methyl ester IUPAC Name: methyl 3-acetyl-2,2-dimethyl-5-(4-methylsulfanylphenyl)-1,3-oxazolidine-4-carboxylate Traditional Name: 3-acetyl-2,2-dimethyl-5-[4-(methylthio)phenyl]oxazolidine-4-carboxylic acid methyl ester Formula: C16H21NO4S MolecularWeight: 323.40724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C(OC1(C)C)C2=CC=C(C=C2)SC)C(=O)OC

Isomeric SMILES

CC(=O)N1C(C(OC1(C)C)C2=CC=C(C=C2)SC)C(=O)OC

InChI

InChI=1S/C16H21NO4S/c1-10(18)17-13(15(19)20-4)14(21-16(17,2)3)11-6-8-12(22-5)9-7-11/h6-9,13-14H,1-5H3