ethyl 3-oxidanylidene-2-(phenylmethyl)thiane-2-carboxylate

Systemtic Name: ethyl 3-oxidanylidene-2-(phenylmethyl)thiane-2-carboxylate Openeye Name: ethyl 2-benzyl-3-oxo-tetrahydrothiopyran-2-carboxylate CAS Name: 3-oxo-2-(phenylmethyl)-2-thianecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-oxothiane-2-carboxylate Traditional Name: 2-benzyl-3-keto-tetrahydrothiopyran-2-carboxylic acid ethyl ester Formula: C15H18O3S MolecularWeight: 278.36662

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(C(=O)CCCS1)CC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1(C(=O)CCCS1)CC2=CC=CC=C2

InChI

InChI=1S/C15H18O3S/c1-2-18-14(17)15(13(16)9-6-10-19-15)11-12-7-4-3-5-8-12/h3-5,7-8H,2,6,9-11H2,1H3