ethyl 2-[(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoate

Systemtic Name: ethyl 2-[(1-chloranyl-2-methyl-1-oxidanylidene-propan-2-yl)sulfonylmethyl]-3-phenyl-propanoate Openeye Name: ethyl 2-benzyl-3-(2-chloro-1,1-dimethyl-2-oxo-ethyl)sulfonyl-propanoate CAS Name: 2-[(1-chloro-2-methyl-1-oxopropan-2-yl)sulfonylmethyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl 2-benzyl-3-(1-chloro-2-methyl-1-oxopropan-2-yl)sulfonylpropanoate Traditional Name: 2-benzyl-3-(2-chloro-2-keto-1,1-dimethyl-ethyl)sulfonyl-propionic acid ethyl ester Formula: C16H21ClO5S MolecularWeight: 360.85294

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C(C)(C)C(=O)Cl

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1)CS(=O)(=O)C(C)(C)C(=O)Cl

InChI

InChI=1S/C16H21ClO5S/c1-4-22-14(18)13(10-12-8-6-5-7-9-12)11-23(20,21)16(2,3)15(17)19/h5-9,13H,4,10-11H2,1-3H3