7-azanyl-3-[4-(1H-imidazol-2-yl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 7-azanyl-3-[4-(1H-imidazol-2-yl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-[4-(1H-imidazol-2-yl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[4-(1H-imidazol-2-yl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-[4-(1H-imidazol-2-yl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[[4-(1H-imidazol-2-yl)phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C16H13N4O3S2- MolecularWeight: 373.42942

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=CC=C(C=C3)C4=NC=CN4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=CC=C(C=C3)C4=NC=CN4

InChI

InChI=1S/C16H14N4O3S2/c17-11-14(21)20-12(16(22)23)10(7-24-15(11)20)25-9-3-1-8(2-4-9)13-18-5-6-19-13/h1-6,11,15H,7,17H2,(H,18,19)(H,22,23)/p-1