sodium (2S)-3,3-dimethyl-7-oxidanylidene-6-(phenethylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Systemtic Name: sodium (2S)-3,3-dimethyl-7-oxidanylidene-6-(phenethylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S)-3,3-dimethyl-7-oxo-6-(phenethylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S)-3,3-dimethyl-7-oxo-6-[[oxo-(phenethylamino)methyl]amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S)-3,3-dimethyl-7-oxo-6-(phenethylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S)-7-keto-3,3-dimethyl-6-(phenethylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C17H20N3NaO4S MolecularWeight: 385.41317

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)NCCC3=CC=CC=C3)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NCCC3=CC=CC=C3)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C17H21N3O4S.Na/c1-17(2)12(15(22)23)20-13(21)11(14(20)25-17)19-16(24)18-9-8-10-6-4-3-5-7-10;/h3-7,11-12,14H,8-9H2,1-2H3,(H,22,23)(H2,18,19,24);/q;+1/p-1/t11?,12-,14?;/m0./s1