diethyl 2-[3-(5-chloranyl-3-morpholin-2-yl-pyridin-2-yl)-1,3-thiazetidin-2-ylidene]propanedioate

Systemtic Name: diethyl 2-[3-(5-chloranyl-3-morpholin-2-yl-pyridin-2-yl)-1,3-thiazetidin-2-ylidene]propanedioate Openeye Name: diethyl 2-[3-(5-chloro-3-morpholin-2-yl-2-pyridyl)-1,3-thiazetidin-2-ylidene]propanedioate CAS Name: 2-[3-[5-chloro-3-(2-morpholinyl)-2-pyridinyl]-1,3-thiazetidin-2-ylidene]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[3-(5-chloro-3-morpholin-2-ylpyridin-2-yl)-1,3-thiazetidin-2-ylidene]propanedioate Traditional Name: 2-[3-(5-chloro-3-morpholin-2-yl-2-pyridyl)-1,3-thiazetidin-2-ylidene]malonic acid diethyl ester Formula: C18H22ClN3O5S MolecularWeight: 427.90238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C1N(CS1)C2=NC=C(C=C2C3CNCCO3)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(=C1N(CS1)C2=NC=C(C=C2C3CNCCO3)Cl)C(=O)OCC

InChI

InChI=1S/C18H22ClN3O5S/c1-3-25-17(23)14(18(24)26-4-2)16-22(10-28-16)15-12(7-11(19)8-21-15)13-9-20-5-6-27-13/h7-8,13,20H,3-6,9-10H2,1-2H3