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

Systemtic Name: 7-azanyl-3-[3-(1H-imidazol-2-ylmethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-[3-(1H-imidazol-2-ylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[3-(1H-imidazol-2-ylmethyl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-[3-(1H-imidazol-2-ylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[[3-(1H-imidazol-2-ylmethyl)phenyl]thio]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H15N4O3S2- MolecularWeight: 387.456

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=CC=CC(=C3)CC4=NC=CN4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=CC=CC(=C3)CC4=NC=CN4

InChI

InChI=1S/C17H16N4O3S2/c18-13-15(22)21-14(17(23)24)11(8-25-16(13)21)26-10-3-1-2-9(6-10)7-12-19-4-5-20-12/h1-6,13,16H,7-8,18H2,(H,19,20)(H,23,24)/p-1