diethyl 2-[1-[(3S)-1-phenyl-2-sulfanylidene-azetidin-3-yl]ethyl]propanedioate

Systemtic Name: diethyl 2-[1-[(3S)-1-phenyl-2-sulfanylidene-azetidin-3-yl]ethyl]propanedioate Openeye Name: diethyl 2-[1-[(3S)-1-phenyl-2-thioxo-azetidin-3-yl]ethyl]propanedioate CAS Name: 2-[1-[(3S)-1-phenyl-2-sulfanylidene-3-azetidinyl]ethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[1-[(3S)-1-phenyl-2-sulfanylideneazetidin-3-yl]ethyl]propanedioate Traditional Name: 2-[1-[(3S)-1-phenyl-2-thioxo-azetidin-3-yl]ethyl]malonic acid diethyl ester Formula: C18H23NO4S MolecularWeight: 349.44452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C)C1CN(C1=S)C2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C)[C@H]1CN(C1=S)C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C18H23NO4S/c1-4-22-17(20)15(18(21)23-5-2)12(3)14-11-19(16(14)24)13-9-7-6-8-10-13/h6-10,12,14-15H,4-5,11H2,1-3H3/t12?,14-/m1/s1