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

Systemtic Name: 3-(5-methyloxolan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(5-methyltetrahydrofuran-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-methyl-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-methyloxolan-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 8-keto-3-(5-methyltetrahydrofuran-2-yl)-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(O1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

Isomeric SMILES

CC1CCC(O1)C2=C(N3C(C(C3=O)NC(=O)CC4=CC=CC=C4)SC2)C(=O)O

InChI

InChI=1S/C20H22N2O5S/c1-11-7-8-14(27-11)13-10-28-19-16(18(24)22(19)17(13)20(25)26)21-15(23)9-12-5-3-2-4-6-12/h2-6,11,14,16,19H,7-10H2,1H3,(H,21,23)(H,25,26)