3-(bromomethyl)-8-oxidanylidene-4-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(bromomethyl)-8-oxidanylidene-4-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(bromomethyl)-8-oxo-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(bromomethyl)-8-oxo-4-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(bromomethyl)-8-oxo-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(bromomethyl)-8-keto-4-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C16H15BrN2O4S MolecularWeight: 411.2703

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=C(C(S2)NC(=O)CC3=CC=CC=C3)CBr)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=C(C(S2)NC(=O)CC3=CC=CC=C3)CBr)C(=O)O

InChI

InChI=1S/C16H15BrN2O4S/c17-8-10-14(16(22)23)19-12(21)7-13(19)24-15(10)18-11(20)6-9-4-2-1-3-5-9/h1-5,13,15H,6-8H2,(H,18,20)(H,22,23)