9H-fluoren-9-yl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: 9H-fluoren-9-yl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: 9H-fluoren-9-yl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenoxyethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid 9H-fluoren-9-yl ester IUPAC Name: 9H-fluoren-9-yl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenoxyacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid 9H-fluoren-9-yl ester Formula: C36H29N3O5S3 MolecularWeight: 679.82756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC1C2=CC=CC=C2C3=CC=CC=C13)N4C(C(C4=O)NC(=O)COC5=CC=CC=C5)SSC6=NC7=CC=CC=C7S6

Isomeric SMILES

CC(=C)C(C(=O)OC1C2=CC=CC=C2C3=CC=CC=C13)N4C(C(C4=O)NC(=O)COC5=CC=CC=C5)SSC6=NC7=CC=CC=C7S6

InChI

InChI=1S/C36H29N3O5S3/c1-21(2)31(35(42)44-32-25-16-8-6-14-23(25)24-15-7-9-17-26(24)32)39-33(41)30(38-29(40)20-43-22-12-4-3-5-13-22)34(39)46-47-36-37-27-18-10-11-19-28(27)45-36/h3-19,30-32,34H,1,20H2,2H3,(H,38,40)