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

Systemtic Name: sodium (2S)-3,3-dimethyl-7-oxidanylidene-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Openeye Name: sodium (2S)-3,3-dimethyl-7-oxo-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate CAS Name: sodium (2S)-6-[[anilino(oxo)methyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate IUPAC Name: sodium (2S)-3,3-dimethyl-7-oxo-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Traditional Name: sodium (2S)-7-keto-3,3-dimethyl-6-(phenylcarbamoylamino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate Formula: C15H16N3NaO4S MolecularWeight: 357.36001

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(N2C(S1)C(C2=O)NC(=O)NC3=CC=CC=C3)C(=O)[O-])C.[Na+]

Isomeric SMILES

CC1([C@@H](N2C(S1)C(C2=O)NC(=O)NC3=CC=CC=C3)C(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H17N3O4S.Na/c1-15(2)10(13(20)21)18-11(19)9(12(18)23-15)17-14(22)16-8-6-4-3-5-7-8;/h3-7,9-10,12H,1-2H3,(H,20,21)(H2,16,17,22);/q;+1/p-1/t9?,10-,12?;/m0./s1