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

Systemtic Name: 3-benzamido-1-[1-(2-iodanylethoxy)-3-methyl-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-azetidine-2-sulfinic acid Openeye Name: 3-benzamido-1-[1-(2-iodoethoxycarbonyl)-2-methyl-allyl]-4-oxo-azetidine-2-sulfinic acid CAS Name: 3-benzamido-1-[1-(2-iodoethoxy)-3-methyl-1-oxobut-3-en-2-yl]-4-oxo-2-azetidinesulfinic acid IUPAC Name: 3-benzamido-1-[1-(2-iodoethoxy)-3-methyl-1-oxobut-3-en-2-yl]-4-oxoazetidine-2-sulfinic acid Traditional Name: 3-benzamido-1-[1-(2-iodoethoxycarbonyl)-2-methyl-allyl]-4-keto-azetidine-2-sulfinic acid Formula: C17H19IN2O6S MolecularWeight: 506.31203

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)NC(=O)C2=CC=CC=C2)S(=O)O

InChI

InChI=1S/C17H19IN2O6S/c1-10(2)13(17(23)26-9-8-18)20-15(22)12(16(20)27(24)25)19-14(21)11-6-4-3-5-7-11/h3-7,12-13,16H,1,8-9H2,2H3,(H,19,21)(H,24,25)