ethyl (3S)-3-[(1S)-2-chloranyl-1-methoxy-ethyl]-2-oxidanylidene-cycloheptane-1-carboxylate

Systemtic Name: ethyl (3S)-3-[(1S)-2-chloranyl-1-methoxy-ethyl]-2-oxidanylidene-cycloheptane-1-carboxylate Openeye Name: ethyl (3S)-3-[(1S)-2-chloro-1-methoxy-ethyl]-2-oxo-cycloheptanecarboxylate CAS Name: (3S)-3-[(1S)-2-chloro-1-methoxyethyl]-2-oxo-1-cycloheptanecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(1S)-2-chloro-1-methoxyethyl]-2-oxocycloheptane-1-carboxylate Traditional Name: (3S)-3-[(1S)-2-chloro-1-methoxy-ethyl]-2-keto-cycloheptanecarboxylic acid ethyl ester Formula: C13H21ClO4 MolecularWeight: 276.75644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCCC(C1=O)C(CCl)OC

Isomeric SMILES

CCOC(=O)C1CCCC[C@H](C1=O)[C@@H](CCl)OC

InChI

InChI=1S/C13H21ClO4/c1-3-18-13(16)10-7-5-4-6-9(12(10)15)11(8-14)17-2/h9-11H,3-8H2,1-2H3/t9-,10?,11+/m0/s1