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

Systemtic Name: 7-azanyl-3-[4-(1,3-oxazol-2-ylmethyl)phenyl]sulfanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 7-amino-3-[4-(oxazol-2-ylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 7-amino-3-[[4-(2-oxazolylmethyl)phenyl]thio]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 7-amino-3-[4-(1,3-oxazol-2-ylmethyl)phenyl]sulfanyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 7-amino-8-keto-3-[[4-(oxazol-2-ylmethyl)phenyl]thio]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C17H14N3O4S2- MolecularWeight: 388.44076

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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)CC4=NC=CO4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)N)C(=O)[O-])SC3=CC=C(C=C3)CC4=NC=CO4

InChI

InChI=1S/C17H15N3O4S2/c18-13-15(21)20-14(17(22)23)11(8-25-16(13)20)26-10-3-1-9(2-4-10)7-12-19-5-6-24-12/h1-6,13,16H,7-8,18H2,(H,22,23)/p-1