S-methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-azetidin-1-yl]-3-phenyl-propanethioate

Systemtic Name: S-methyl 2-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-oxidanylidene-azetidin-1-yl]-3-phenyl-propanethioate Openeye Name: S-methyl 2-[3-(1,3-dioxoisoindolin-2-yl)-2-oxo-azetidin-1-yl]-3-phenyl-propanethioate CAS Name: 2-[3-(1,3-dioxo-2-isoindolyl)-2-oxo-1-azetidinyl]-3-phenylpropanethioic acid S-methyl ester IUPAC Name: S-methyl 2-[3-(1,3-dioxoisoindol-2-yl)-2-oxoazetidin-1-yl]-3-phenylpropanethioate Traditional Name: 2-(2-keto-3-phthalimido-azetidin-1-yl)-3-phenyl-propanethioic acid S-methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=O)C(CC1=CC=CC=C1)N2CC(C2=O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CSC(=O)C(CC1=CC=CC=C1)N2CC(C2=O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H18N2O4S/c1-28-21(27)16(11-13-7-3-2-4-8-13)22-12-17(20(22)26)23-18(24)14-9-5-6-10-15(14)19(23)25/h2-10,16-17H,11-12H2,1H3