3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxidanylidene-6-(1-sulfonatooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxidanylidene-6-(1-sulfonatooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[(E)-2-acetamidovinyl]sulfanyl-7-oxo-6-(1-sulfonatooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[[(E)-2-acetamidoethenyl]thio]-7-oxo-6-(1-sulfonatooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[(E)-2-acetamidoethenyl]sulfanyl-7-oxo-6-(1-sulfonatooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[[(E)-2-acetamidovinyl]thio]-7-keto-6-(1-sulfatoethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C13H14N2O8S2-2 MolecularWeight: 390.38886

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC=CNC(=O)C)OS(=O)(=O)[O-]

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])S/C=C/NC(=O)C)OS(=O)(=O)[O-]

InChI

InChI=1S/C13H16N2O8S2/c1-6(23-25(20,21)22)10-8-5-9(24-4-3-14-7(2)16)11(13(18)19)15(8)12(10)17/h3-4,6,8,10H,5H2,1-2H3,(H,14,16)(H,18,19)(H,20,21,22)/p-2/b4-3+