methyl (6S,7R)-7-benzamido-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl (6S,7R)-7-benzamido-3-(iodanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl (6S,7R)-7-benzamido-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: (6S,7R)-7-benzamido-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (6S,7R)-7-benzamido-3-(iodomethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: (6S,7R)-7-benzamido-3-(iodomethyl)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C16H15IN2O4S MolecularWeight: 458.27077

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)C3=CC=CC=C3)CI

Isomeric SMILES

COC(=O)C1=C(CS[C@@H]2N1C(=O)[C@H]2NC(=O)C3=CC=CC=C3)CI

InChI

InChI=1S/C16H15IN2O4S/c1-23-16(22)12-10(7-17)8-24-15-11(14(21)19(12)15)18-13(20)9-5-3-2-4-6-9/h2-6,11,15H,7-8H2,1H3,(H,18,20)/t11-,15+/m1/s1