3-[(6-azanyl-1H-benzimidazol-2-yl)sulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Systemtic Name: 3-[(6-azanyl-1H-benzimidazol-2-yl)sulfanyl]-6-(1-hydroxyethyl)-7-oxidanylidene-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Openeye Name: 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate CAS Name: 3-[(6-amino-1H-benzimidazol-2-yl)thio]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate IUPAC Name: 3-[(6-amino-1H-benzimidazol-2-yl)sulfanyl]-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Traditional Name: 3-[(6-amino-1H-benzimidazol-2-yl)thio]-6-(1-hydroxyethyl)-7-keto-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate Formula: C16H15N4O4S- MolecularWeight: 359.3797

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC3=NC4=C(N3)C=C(C=C4)N)O

Isomeric SMILES

CC(C1C2CC(=C(N2C1=O)C(=O)[O-])SC3=NC4=C(N3)C=C(C=C4)N)O

InChI

InChI=1S/C16H16N4O4S/c1-6(21)12-10-5-11(13(15(23)24)20(10)14(12)22)25-16-18-8-3-2-7(17)4-9(8)19-16/h2-4,6,10,12,21H,5,17H2,1H3,(H,18,19)(H,23,24)/p-1