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

Systemtic Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxidanylidene-3-(2-phenylethanoylamino)azetidin-1-yl]-3-methyl-but-3-enoic acid Openeye Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid CAS Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(1-oxo-2-phenylethyl)amino]-1-azetidinyl]-3-methyl-3-butenoic acid IUPAC Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-oxo-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methylbut-3-enoic acid Traditional Name: 2-[2-(1,3-benzothiazol-2-yldisulfanyl)-4-keto-3-[(2-phenylacetyl)amino]azetidin-1-yl]-3-methyl-but-3-enoic acid Formula: C23H21N3O4S3 MolecularWeight: 499.62554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S3/c1-13(2)19(22(29)30)26-20(28)18(25-17(27)12-14-8-4-3-5-9-14)21(26)32-33-23-24-15-10-6-7-11-16(15)31-23/h3-11,18-19,21H,1,12H2,2H3,(H,25,27)(H,29,30)