methyl 3-(bromomethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: methyl 3-(bromomethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: methyl 3-(bromomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(bromomethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-(bromomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-(bromomethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid methyl ester Formula: C17H17BrN2O4S MolecularWeight: 425.29688

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CBr

Isomeric SMILES

COC(=O)C1=C(CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CBr

InChI

InChI=1S/C17H17BrN2O4S/c1-24-17(23)14-11(8-18)9-25-16-13(15(22)20(14)16)19-12(21)7-10-5-3-2-4-6-10/h2-6,13,16H,7-9H2,1H3,(H,19,21)