ethyl 2-[(4S)-2-oxidanylidene-4-[(1S)-2-oxidanylidenecyclohexyl]azetidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanoate

Systemtic Name: ethyl 2-[(4S)-2-oxidanylidene-4-[(1S)-2-oxidanylidenecyclohexyl]azetidin-1-yl]-2-pyridin-2-ylsulfanyl-ethanoate Openeye Name: ethyl 2-[(4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-1-yl]-2-(2-pyridylsulfanyl)acetate CAS Name: 2-[(4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]-1-azetidinyl]-2-(2-pyridinylthio)acetic acid ethyl ester IUPAC Name: ethyl 2-[(4S)-2-oxo-4-[(1S)-2-oxocyclohexyl]azetidin-1-yl]-2-pyridin-2-ylsulfanylacetate Traditional Name: 2-[(4S)-2-keto-4-[(1S)-2-ketocyclohexyl]azetidin-1-yl]-2-(2-pyridylthio)acetic acid ethyl ester Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(N1C(CC1=O)C2CCCCC2=O)SC3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C(N1[C@@H](CC1=O)[C@@H]2CCCCC2=O)SC3=CC=CC=N3

InChI

InChI=1S/C18H22N2O4S/c1-2-24-18(23)17(25-15-9-5-6-10-19-15)20-13(11-16(20)22)12-7-3-4-8-14(12)21/h5-6,9-10,12-13,17H,2-4,7-8,11H2,1H3/t12-,13-,17?/m0/s1