(2-phenylethanoylamino) 8-oxidanylidene-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (2-phenylethanoylamino) 8-oxidanylidene-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: [(2-phenylacetyl)amino] 3-isopropenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-(1-methylethenyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-oxo-2-phenylethyl)amino] ester IUPAC Name: [(2-phenylacetyl)amino] 8-oxo-3-prop-1-en-2-yl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-isopropenyl-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(2-phenylacetyl)amino] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C1=C(N2C(CC2=O)SC1)C(=O)ONC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(=C)C1=C(N2C(CC2=O)SC1)C(=O)ONC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H18N2O4S/c1-11(2)13-10-25-16-9-15(22)20(16)17(13)18(23)24-19-14(21)8-12-6-4-3-5-7-12/h3-7,16H,1,8-10H2,2H3,(H,19,21)