methyl (6S)-3-iodanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate

Systemtic Name: methyl (6S)-3-iodanyl-3-methyl-8-oxidanylidene-7-(2-phenoxyethanoylamino)-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Openeye Name: methyl (6S)-3-iodo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate CAS Name: (6S)-3-iodo-3-methyl-8-oxo-7-[(1-oxo-2-phenoxyethyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-iodo-3-methyl-8-oxo-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylate Traditional Name: (6S)-3-iodo-8-keto-3-methyl-7-[(2-phenoxyacetyl)amino]-5-thia-1-azabicyclo[4.2.0]octane-2-carboxylic acid methyl ester Formula: C17H19IN2O5S MolecularWeight: 490.31263

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CSC2C(C(=O)N2C1C(=O)OC)NC(=O)COC3=CC=CC=C3)I

Isomeric SMILES

CC1(CS[C@H]2C(C(=O)N2C1C(=O)OC)NC(=O)COC3=CC=CC=C3)I

InChI

InChI=1S/C17H19IN2O5S/c1-17(18)9-26-15-12(14(22)20(15)13(17)16(23)24-2)19-11(21)8-25-10-6-4-3-5-7-10/h3-7,12-13,15H,8-9H2,1-2H3,(H,19,21)/t12?,13?,15-,17?/m0/s1