ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-4-pyridin-3-yl-azetidin-2-ylidene]ethanoate

Systemtic Name: ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-4-pyridin-3-yl-azetidin-2-ylidene]ethanoate Openeye Name: ethyl (2E)-2-[1-(p-tolylsulfonyl)-4-(3-pyridyl)azetidin-2-ylidene]acetate CAS Name: (2E)-2-[1-(4-methylphenyl)sulfonyl-4-(3-pyridinyl)-2-azetidinylidene]acetic acid ethyl ester IUPAC Name: ethyl (2E)-2-[1-(4-methylphenyl)sulfonyl-4-pyridin-3-ylazetidin-2-ylidene]acetate Traditional Name: (2E)-2-[4-(3-pyridyl)-1-tosyl-azetidin-2-ylidene]acetic acid ethyl ester Formula: C19H20N2O4S MolecularWeight: 372.4381

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C1CC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CN=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/1\CC(N1S(=O)(=O)C2=CC=C(C=C2)C)C3=CN=CC=C3

InChI

InChI=1S/C19H20N2O4S/c1-3-25-19(22)12-16-11-18(15-5-4-10-20-13-15)21(16)26(23,24)17-8-6-14(2)7-9-17/h4-10,12-13,18H,3,11H2,1-2H3/b16-12+