(1-bromanyl-2-oxidanylidene-2-phenyl-ethyl) 3-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)disulfanyl]-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate

Systemtic Name: (1-bromanyl-2-oxidanylidene-2-phenyl-ethyl) 3-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)disulfanyl]-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]but-3-enoate Openeye Name: (1-bromo-2-oxo-2-phenyl-ethyl) 3-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate CAS Name: 3-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)disulfanyl]-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-butenoic acid (1-bromo-2-oxo-2-phenylethyl) ester IUPAC Name: (1-bromo-2-oxo-2-phenylethyl) 3-methyl-2-[2-[(6-methyl-1,3-benzothiazol-2-yl)disulfanyl]-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]but-3-enoate Traditional Name: 2-[2-keto-4-[(6-methyl-1,3-benzothiazol-2-yl)disulfanyl]-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid (1-bromo-2-keto-2-phenyl-ethyl) ester Formula: C32H28BrN3O6S3 MolecularWeight: 726.68022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)SSC3C(C(=O)N3C(C(=C)C)C(=O)OC(C(=O)C4=CC=CC=C4)Br)NC(=O)COC5=CC=CC=C5

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)SSC3C(C(=O)N3C(C(=C)C)C(=O)OC(C(=O)C4=CC=CC=C4)Br)NC(=O)COC5=CC=CC=C5

InChI

InChI=1S/C32H28BrN3O6S3/c1-18(2)26(31(40)42-28(33)27(38)20-10-6-4-7-11-20)36-29(39)25(35-24(37)17-41-21-12-8-5-9-13-21)30(36)44-45-32-34-22-15-14-19(3)16-23(22)43-32/h4-16,25-26,28,30H,1,17H2,2-3H3,(H,35,37)