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

Systemtic Name: 7-azanyl-3-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[4-(1-imidazolylmethyl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-[4-(imidazol-1-ylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-3-[[4-(imidazol-1-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=C(C=C3)CN4C=CN=C4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=CC=C(C=C3)CN4C=CN=C4

InChI

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