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

Systemtic Name: ethyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenoxyethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C25H25N3O5S3 MolecularWeight: 543.6781

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=C)C)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC(=O)C(C(=C)C)N1C(C(C1=O)NC(=O)COC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C25H25N3O5S3/c1-4-32-24(31)21(15(2)3)28-22(30)20(27-19(29)14-33-16-10-6-5-7-11-16)23(28)35-36-25-26-17-12-8-9-13-18(17)34-25/h5-13,20-21,23H,2,4,14H2,1,3H3,(H,27,29)