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

Systemtic Name: 3-(2-oxidanylbutan-2-yl)-8-oxidanylidene-7-(2-phenylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(1-hydroxy-1-methyl-propyl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(2-hydroxybutan-2-yl)-8-oxo-7-[(1-oxo-2-phenylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(2-hydroxybutan-2-yl)-8-oxo-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(1-hydroxy-1-methyl-propyl)-8-keto-7-[(2-phenylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O)O

Isomeric SMILES

CCC(C)(C1=C(N2C(C(C2=O)NC(=O)CC3=CC=CC=C3)SC1)C(=O)O)O

InChI

InChI=1S/C19H22N2O5S/c1-3-19(2,26)12-10-27-17-14(16(23)21(17)15(12)18(24)25)20-13(22)9-11-7-5-4-6-8-11/h4-8,14,17,26H,3,9-10H2,1-2H3,(H,20,22)(H,24,25)