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

Systemtic Name: 1-[1-(2-iodanylethoxy)-3-methyl-1-oxidanylidene-but-3-en-2-yl]-4-oxidanylidene-3-(2-thiophen-2-ylethanoylamino)azetidine-2-sulfinic acid Openeye Name: 1-[1-(2-iodoethoxycarbonyl)-2-methyl-allyl]-4-oxo-3-[[2-(2-thienyl)acetyl]amino]azetidine-2-sulfinic acid CAS Name: 1-[1-(2-iodoethoxy)-3-methyl-1-oxobut-3-en-2-yl]-4-oxo-3-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-azetidinesulfinic acid IUPAC Name: 1-[1-(2-iodoethoxy)-3-methyl-1-oxobut-3-en-2-yl]-4-oxo-3-[(2-thiophen-2-ylacetyl)amino]azetidine-2-sulfinic acid Traditional Name: 1-[1-(2-iodoethoxycarbonyl)-2-methyl-allyl]-4-keto-3-[[2-(2-thienyl)acetyl]amino]azetidine-2-sulfinic acid Formula: C16H19IN2O6S2 MolecularWeight: 526.36633

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)NC(=O)CC2=CC=CS2)S(=O)O

Isomeric SMILES

CC(=C)C(C(=O)OCCI)N1C(C(C1=O)NC(=O)CC2=CC=CS2)S(=O)O

InChI

InChI=1S/C16H19IN2O6S2/c1-9(2)13(16(22)25-6-5-17)19-14(21)12(15(19)27(23)24)18-11(20)8-10-4-3-7-26-10/h3-4,7,12-13,15H,1,5-6,8H2,2H3,(H,18,20)(H,23,24)