phenacyl 2-[2-chloranylsulfinyl-3-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: phenacyl 2-[2-chloranylsulfinyl-3-[5-methoxy-1,3-bis(oxidanylidene)isoindol-2-yl]-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: phenacyl 2-[2-chlorosulfinyl-3-(5-methoxy-1,3-dioxo-isoindolin-2-yl)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-chlorosulfinyl-3-(5-methoxy-1,3-dioxo-2-isoindolyl)-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid phenacyl ester IUPAC Name: phenacyl 2-[2-chlorosulfinyl-3-(5-methoxy-1,3-dioxoisoindol-2-yl)-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-chlorosulfinyl-3-(1,3-diketo-5-methoxy-isoindolin-2-yl)-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid phenacyl ester Formula: C25H21ClN2O8S MolecularWeight: 544.96084

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)OC)S(=O)Cl

Isomeric SMILES

CC(=C)C(C(=O)OCC(=O)C1=CC=CC=C1)N2C(C(C2=O)N3C(=O)C4=C(C3=O)C=C(C=C4)OC)S(=O)Cl

InChI

InChI=1S/C25H21ClN2O8S/c1-13(2)19(25(33)36-12-18(29)14-7-5-4-6-8-14)28-23(32)20(24(28)37(26)34)27-21(30)16-10-9-15(35-3)11-17(16)22(27)31/h4-11,19-20,24H,1,12H2,2-3H3