2-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[(3-cyano-4,6-dimethyl-2-oxidanylidene-pyridin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridyl)methoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)methoxy]ethyl ester IUPAC Name: 2-[(3-cyano-4,6-dimethyl-2-oxopyridin-1-yl)methoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[(3-cyano-2-keto-4,6-dimethyl-1-pyridyl)methoxy]ethyl ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C(=CC(=C(C2=O)C#N)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCN2C(=CC(=C(C2=O)C#N)C)C

InChI

InChI=1S/C18H20N2O5S/c1-13-4-6-16(7-5-13)26(22,23)25-9-8-24-12-20-15(3)10-14(2)17(11-19)18(20)21/h4-7,10H,8-9,12H2,1-3H3