3-(5-methoxycarbonyloxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(5-methoxycarbonyloxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(5-methoxycarbonyltetrahydrofuran-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(5-methoxycarbonyl-2-oxolanyl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(5-methoxycarbonyloxolan-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(5-carbomethoxytetrahydrofuran-2-yl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCC(O1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

COC(=O)C1CCC(O1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C21H22N2O7S/c1-29-21(28)14-8-7-13(30-14)12-10-31-19-16(18(25)23(19)17(12)20(26)27)22-15(24)9-11-5-3-2-4-6-11/h2-6,13-14,16,19H,7-10H2,1H3,(H,22,24)(H,26,27)