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

Systemtic Name: methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid methyl ester IUPAC Name: methyl 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoate Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid methyl ester Formula: C24H23N3O4S3 MolecularWeight: 513.65212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=C)C(C(=O)OC)N1C(C(C1=O)NC(=O)CC2=CC=CC=C2)SSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C24H23N3O4S3/c1-14(2)20(23(30)31-3)27-21(29)19(26-18(28)13-15-9-5-4-6-10-15)22(27)33-34-24-25-16-11-7-8-12-17(16)32-24/h4-12,19-20,22H,1,13H2,2-3H3,(H,26,28)