methyl 4-[cyano(phenylsulfanyl)methyl]-5,5-dimethyl-2-oxidanylidene-oxolane-3-carboxylate

Systemtic Name: methyl 4-[cyano(phenylsulfanyl)methyl]-5,5-dimethyl-2-oxidanylidene-oxolane-3-carboxylate Openeye Name: methyl 4-[cyano(phenylsulfanyl)methyl]-5,5-dimethyl-2-oxo-tetrahydrofuran-3-carboxylate CAS Name: 4-[cyano-(phenylthio)methyl]-5,5-dimethyl-2-oxo-3-oxolanecarboxylic acid methyl ester IUPAC Name: methyl 4-[cyano(phenylsulfanyl)methyl]-5,5-dimethyl-2-oxooxolane-3-carboxylate Traditional Name: 4-[cyano-(phenylthio)methyl]-2-keto-5,5-dimethyl-tetrahydrofuran-3-carboxylic acid methyl ester Formula: C16H17NO4S MolecularWeight: 319.37548

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C(=O)O1)C(=O)OC)C(C#N)SC2=CC=CC=C2)C

Isomeric SMILES

CC1(C(C(C(=O)O1)C(=O)OC)C(C#N)SC2=CC=CC=C2)C

InChI

InChI=1S/C16H17NO4S/c1-16(2)13(12(14(18)20-3)15(19)21-16)11(9-17)22-10-7-5-4-6-8-10/h4-8,11-13H,1-3H3