3-iodanyl-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid

Systemtic Name: 3-iodanyl-3-methyl-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Openeye Name: 3-iodo-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid CAS Name: 3-iodo-3-methyl-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid IUPAC Name: 3-iodo-3-methyl-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Traditional Name: 3-iodo-8-keto-3-methyl-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid Formula: C16H17IN2O4S MolecularWeight: 460.28665

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)CC3=CC=CC=C3)I

Isomeric SMILES

CC1(CSC2C(C(=O)N2C1C(=O)O)NC(=O)CC3=CC=CC=C3)I

InChI

InChI=1S/C16H17IN2O4S/c1-16(17)8-24-14-11(13(21)19(14)12(16)15(22)23)18-10(20)7-9-5-3-2-4-6-9/h2-6,11-12,14H,7-8H2,1H3,(H,18,20)(H,22,23)