sodium (5S,6S)-3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: sodium (5S,6S)-3-(2-acetamidoethylsulfanyl)-7-oxidanylidene-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: sodium (5S,6S)-3-(2-acetamidoethylsulfanyl)-6-isopropyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: sodium (5S,6S)-3-(2-acetamidoethylthio)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: sodium (5S,6S)-3-(2-acetamidoethylsulfanyl)-7-oxo-6-propan-2-yl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: sodium (5S,6S)-3-(2-acetamidoethylthio)-6-isopropyl-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C14H19N2NaO4S MolecularWeight: 334.36643

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C2CC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C.[Na+]

Isomeric SMILES

CC(C)[C@H]1[C@@H]2CC(=C(N2C1=O)C(=O)[O-])SCCNC(=O)C.[Na+]

InChI

InChI=1S/C14H20N2O4S.Na/c1-7(2)11-9-6-10(21-5-4-15-8(3)17)12(14(19)20)16(9)13(11)18;/h7,9,11H,4-6H2,1-3H3,(H,15,17)(H,19,20);/q;+1/p-1/t9-,11-;/m0./s1