(diphenylmethyl) 2-[3-acetamido-2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-(bromomethyl)but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene

Systemtic Name: (diphenylmethyl) 2-[3-acetamido-2-[1,3-bis(oxidanylidene)isoindol-2-yl]sulfanyl-4-oxidanylidene-azetidin-1-yl]-3-(bromomethyl)but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Openeye Name: benzhydryl 2-[3-acetamido-2-(1,3-dioxoisoindolin-2-yl)sulfanyl-4-oxo-azetidin-1-yl]-3-(bromomethyl)but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene CAS Name: 2-[3-acetamido-2-[(1,3-dioxo-2-isoindolyl)thio]-4-oxo-1-azetidinyl]-3-(bromomethyl)-3-butenoic acid (diphenylmethyl) ester; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene IUPAC Name: benzhydryl 2-[3-acetamido-2-(1,3-dioxoisoindol-2-yl)sulfanyl-4-oxoazetidin-1-yl]-3-(bromomethyl)but-3-enoate; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Traditional Name: 2-[3-acetamido-2-keto-4-(phthalimidothio)azetidin-1-yl]-3-(bromomethyl)but-3-enoic acid benzhydryl ester; 6-oxabicyclo[3.1.1]hepta-1(7),2,4-triene Formula: C37H30BrN3O7S MolecularWeight: 740.619

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1C(N(C1=O)C(C(=C)CBr)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)SN4C(=O)C5=CC=CC=C5C4=O.C1=CC2=CC(=C1)O2

Isomeric SMILES

CC(=O)NC1C(N(C1=O)C(C(=C)CBr)C(=O)OC(C2=CC=CC=C2)C3=CC=CC=C3)SN4C(=O)C5=CC=CC=C5C4=O.C1=CC2=CC(=C1)O2

InChI

InChI=1S/C31H26BrN3O6S.C6H4O/c1-18(17-32)25(31(40)41-26(20-11-5-3-6-12-20)21-13-7-4-8-14-21)34-29(39)24(33-19(2)36)30(34)42-35-27(37)22-15-9-10-16-23(22)28(35)38;1-2-5-4-6(3-1)7-5/h3-16,24-26,30H,1,17H2,2H3,(H,33,36);1-4H