3-acetamido-1-[3-methyl-1-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxy]but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid

Systemtic Name: 3-acetamido-1-[3-methyl-1-oxidanylidene-1-[2,2,2-tris(chloranyl)ethoxy]but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 3-acetamido-1-[2-methyl-1-(2,2,2-trichloroethoxycarbonyl)allyl]-4-oxo-azetidine-2-sulfinic acid CAS Name: 3-acetamido-1-[3-methyl-1-oxo-1-(2,2,2-trichloroethoxy)but-3-en-2-yl]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 3-acetamido-1-[3-methyl-1-oxo-1-(2,2,2-trichloroethoxy)but-3-en-2-yl]-4-oxoazetidine-2-sulfinic acid Traditional Name: 3-acetamido-4-keto-1-[2-methyl-1-(2,2,2-trichloroethoxycarbonyl)allyl]azetidine-2-sulfinic acid Formula: C12H15Cl3N2O6S MolecularWeight: 421.6813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCC(Cl)(Cl)Cl)N1C(C(C1=O)NC(=O)C)S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OCC(Cl)(Cl)Cl)N1C(C(C1=O)NC(=O)C)S(=O)O

InChI

InChI=1S/C12H15Cl3N2O6S/c1-5(2)8(11(20)23-4-12(13,14)15)17-9(19)7(16-6(3)18)10(17)24(21)22/h7-8,10H,1,4H2,2-3H3,(H,16,18)(H,21,22)