tert-butyl (2R)-2-[(3S)-2-(1,3-benzothiazol-2-yldisulfanyl)-3-chloranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate

Systemtic Name: tert-butyl (2R)-2-[(3S)-2-(1,3-benzothiazol-2-yldisulfanyl)-3-chloranyl-4-oxidanylidene-azetidin-1-yl]-3-methyl-but-3-enoate Openeye Name: tert-butyl (2R)-2-[(3S)-2-(1,3-benzothiazol-2-yldisulfanyl)-3-chloro-4-oxo-azetidin-1-yl]-3-methyl-but-3-enoate CAS Name: (2R)-2-[(3S)-2-(1,3-benzothiazol-2-yldisulfanyl)-3-chloro-4-oxo-1-azetidinyl]-3-methyl-3-butenoic acid tert-butyl ester IUPAC Name: tert-butyl (2R)-2-[(3S)-2-(1,3-benzothiazol-2-yldisulfanyl)-3-chloro-4-oxoazetidin-1-yl]-3-methylbut-3-enoate Traditional Name: (2R)-2-[(3S)-2-(1,3-benzothiazol-2-yldisulfanyl)-3-chloro-4-keto-azetidin-1-yl]-3-methyl-but-3-enoic acid tert-butyl ester Formula: C19H21ClN2O3S3 MolecularWeight: 457.02964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C)(C)C)N1C(C(C1=O)Cl)SSC2=NC3=CC=CC=C3S2

Isomeric SMILES

CC(=C)[C@H](C(=O)OC(C)(C)C)N1C([C@H](C1=O)Cl)SSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C19H21ClN2O3S3/c1-10(2)14(17(24)25-19(3,4)5)22-15(23)13(20)16(22)27-28-18-21-11-8-6-7-9-12(11)26-18/h6-9,13-14,16H,1H2,2-5H3/t13-,14+,16?/m0/s1