S-quinolin-2-yl 2-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]propanethioate

Systemtic Name: S-quinolin-2-yl 2-[3-(1-hydroxyethyl)-4-oxidanylidene-azetidin-2-yl]propanethioate Openeye Name: S-(2-quinolyl) 2-[3-(1-hydroxyethyl)-4-oxo-azetidin-2-yl]propanethioate CAS Name: 2-[3-(1-hydroxyethyl)-4-oxo-2-azetidinyl]propanethioic acid S-(2-quinolinyl) ester IUPAC Name: S-quinolin-2-yl 2-[3-(1-hydroxyethyl)-4-oxoazetidin-2-yl]propanethioate Traditional Name: 2-[3-(1-hydroxyethyl)-4-keto-azetidin-2-yl]propanethioic acid S-(2-quinolyl) ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C(NC1=O)C(C)C(=O)SC2=NC3=CC=CC=C3C=C2)O

Isomeric SMILES

CC(C1C(NC1=O)C(C)C(=O)SC2=NC3=CC=CC=C3C=C2)O

InChI

InChI=1S/C17H18N2O3S/c1-9(15-14(10(2)20)16(21)19-15)17(22)23-13-8-7-11-5-3-4-6-12(11)18-13/h3-10,14-15,20H,1-2H3,(H,19,21)