(diphenylmethyl) 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: (diphenylmethyl) 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: benzhydryl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-(benzyloxycarbonylamino)-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-(phenylmethoxycarbonylamino)-1-azetidinyl]-3-methyl-3-butenoic acid (diphenylmethyl) ester IUPAC Name: benzhydryl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-(phenylmethoxycarbonylamino)azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-3-(benzyloxycarbonylamino)-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid benzhydryl ester Formula: C36H31N3O5S3 MolecularWeight: 681.84344

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)NC(=O)OCC4=CC=CC=C4)SSC5=NC6=CC=CC=C6S5

Isomeric SMILES

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)NC(=O)OCC4=CC=CC=C4)SSC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C36H31N3O5S3/c1-23(2)30(34(41)44-31(25-16-8-4-9-17-25)26-18-10-5-11-19-26)39-32(40)29(38-35(42)43-22-24-14-6-3-7-15-24)33(39)46-47-36-37-27-20-12-13-21-28(27)45-36/h3-21,29-31,33H,1,22H2,2H3,(H,38,42)