sodium 3,3,6-trimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium 3,3,6-trimethyl-7-oxidanylidene-6-(2-phenylethanoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium 3,3,6-trimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium 3,3,6-trimethyl-7-oxo-6-[(1-oxo-2-phenylethyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium 3,3,6-trimethyl-7-oxo-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium 7-keto-3,3,6-trimethyl-6-[(2-phenylacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C17H19N2NaO4S MolecularWeight: 370.39853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)(C)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(C(N2C(S1)C(C2=O)(C)NC(=O)CC3=CC=CC=C3)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C17H20N2O4S.Na/c1-16(2)12(13(21)22)19-14(23)17(3,15(19)24-16)18-11(20)9-10-7-5-4-6-8-10;/h4-8,12,15H,9H2,1-3H3,(H,18,20)(H,21,22);/q;+1/p-1