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

Systemtic Name: pentyl 3-(bromomethyl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: pentyl 3-(bromomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 3-(bromomethyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid pentyl ester IUPAC Name: pentyl 3-(bromomethyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 3-(bromomethyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid amyl ester Formula: C21H25BrN2O4S MolecularWeight: 481.4032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC(=O)C1C(=CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CBr

Isomeric SMILES

CCCCCOC(=O)C1C(=CSC2N1C(=O)C2NC(=O)CC3=CC=CC=C3)CBr

InChI

InChI=1S/C21H25BrN2O4S/c1-2-3-7-10-28-21(27)18-15(12-22)13-29-20-17(19(26)24(18)20)23-16(25)11-14-8-5-4-6-9-14/h4-6,8-9,13,17-18,20H,2-3,7,10-12H2,1H3,(H,23,25)