7-oxidanylidene-3-(2-pyrrol-1-ylethyl)-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 7-oxidanylidene-3-(2-pyrrol-1-ylethyl)-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 7-oxo-3-(2-pyrrol-1-ylethyl)-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 7-oxo-3-[2-(1-pyrrolyl)ethyl]-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 7-oxo-3-(2-pyrrol-1-ylethyl)-6-(1-sulfooxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 7-keto-3-(2-pyrrol-1-ylethyl)-6-(1-sulfoxyethyl)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C15H17N2O7S- MolecularWeight: 369.36968

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])CCN3C=CC=C3)OS(=O)(=O)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])CCN3C=CC=C3)OS(=O)(=O)O

InChI

InChI=1S/C15H18N2O7S/c1-9(24-25(21,22)23)12-11-8-10(4-7-16-5-2-3-6-16)13(15(19)20)17(11)14(12)18/h2-3,5-6,9,11-12H,4,7-8H2,1H3,(H,19,20)(H,21,22,23)/p-1