(3S,4R)-3-chloranyl-1-[(2R)-1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-but-3-en-2-yl]-2-oxidanylidene-4-sulfosulfanyl-azetidine

Systemtic Name: (3S,4R)-3-chloranyl-1-[(2R)-1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-but-3-en-2-yl]-2-oxidanylidene-4-sulfosulfanyl-azetidine Openeye Name: (3S,4R)-1-[(1R)-1-benzhydryloxycarbonyl-2-methyl-allyl]-3-chloro-2-oxo-4-sulfosulfanyl-azetidine CAS Name: (3S,4R)-3-chloro-1-[(2R)-1-(diphenylmethyl)oxy-3-methyl-1-oxobut-3-en-2-yl]-2-oxo-4-(sulfothio)azetidine IUPAC Name: (3S,4R)-1-[(2R)-1-benzhydryloxy-3-methyl-1-oxobut-3-en-2-yl]-3-chloro-2-oxo-4-sulfosulfanylazetidine Traditional Name: (3S,4R)-1-[(1R)-1-benzhydryloxycarbonyl-2-methyl-allyl]-3-chloro-2-keto-4-(sulfothio)azetidine Formula: C21H20ClNO6S2 MolecularWeight: 481.9696

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(C(C3=O)Cl)SS(=O)(=O)O

Isomeric SMILES

CC(=C)[C@H](C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3[C@@H]([C@H](C3=O)Cl)SS(=O)(=O)O

InChI

InChI=1S/C21H20ClNO6S2/c1-13(2)17(23-19(24)16(22)20(23)30-31(26,27)28)21(25)29-18(14-9-5-3-6-10-14)15-11-7-4-8-12-15/h3-12,16-18,20H,1H2,2H3,(H,26,27,28)/t16-,17+,20+/m0/s1