3-(2-chloranylethanoylamino)-1-[1-(2-iodanylethoxy)-3-methyl-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid

Systemtic Name: 3-(2-chloranylethanoylamino)-1-[1-(2-iodanylethoxy)-3-methyl-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 3-[(2-chloroacetyl)amino]-1-[1-(2-iodoethoxycarbonyl)-2-methyl-allyl]-4-oxo-azetidine-2-sulfinic acid CAS Name: 3-[(2-chloro-1-oxoethyl)amino]-1-[1-(2-iodoethoxy)-3-methyl-1-oxobut-3-en-2-yl]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 3-[(2-chloroacetyl)amino]-1-[1-(2-iodoethoxy)-3-methyl-1-oxobut-3-en-2-yl]-4-oxoazetidine-2-sulfinic acid Traditional Name: 3-[(2-chloroacetyl)amino]-1-[1-(2-iodoethoxycarbonyl)-2-methyl-allyl]-4-keto-azetidine-2-sulfinic acid Formula: C12H16ClIN2O6S MolecularWeight: 478.68771

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)NC(=O)CCl)S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)NC(=O)CCl)S(=O)O

InChI

InChI=1S/C12H16ClIN2O6S/c1-6(2)9(12(19)22-4-3-14)16-10(18)8(11(16)23(20)21)15-7(17)5-13/h8-9,11H,1,3-5H2,2H3,(H,15,17)(H,20,21)