butyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-(bromomethyl)but-3-enoate

Systemtic Name: butyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-(bromomethyl)but-3-enoate Openeye Name: butyl 3-(bromomethyl)-2-[2-(1,3-dioxoisoindolin-2-yl)sulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate CAS Name: 3-(bromomethyl)-2-[2-[(1,3-dioxo-2-isoindolyl)thio]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid butyl ester IUPAC Name: butyl 3-(bromomethyl)-2-[2-(1,3-dioxoisoindol-2-yl)sulfanyl-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 3-(bromomethyl)-2-[2-keto-3-[(2-phenoxyacetyl)amino]-4-(phthalimidothio)azetidin-1-yl]but-3-enoic acid butyl ester Formula: C28H28BrN3O7S MolecularWeight: 630.50682

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C(=C)CBr)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCCCOC(=O)C(C(=C)CBr)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H28BrN3O7S/c1-3-4-14-38-28(37)23(17(2)15-29)31-26(36)22(30-21(33)16-39-18-10-6-5-7-11-18)27(31)40-32-24(34)19-12-8-9-13-20(19)25(32)35/h5-13,22-23,27H,2-4,14-16H2,1H3,(H,30,33)