(1-cyclopropylpyridin-1-ium-4-yl)sulfanylmethyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: (1-cyclopropylpyridin-1-ium-4-yl)sulfanylmethyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: (1-cyclopropylpyridin-1-ium-4-yl)sulfanylmethyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-cyclopropyl-4-pyridin-1-iumyl)thio]methyl ester IUPAC Name: (1-cyclopropylpyridin-1-ium-4-yl)sulfanylmethyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [(1-cyclopropylpyridin-1-ium-4-yl)thio]methyl ester Formula: C16H17N2O3S2+ MolecularWeight: 349.44778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1[N+]2=CC=C(C=C2)SCOC(=O)C3=CCSC4N3C(=O)C4

Isomeric SMILES

C1CC1[N+]2=CC=C(C=C2)SCOC(=O)C3=CCSC4N3C(=O)C4

InChI

InChI=1S/C16H17N2O3S2/c19-14-9-15-18(14)13(5-8-22-15)16(20)21-10-23-12-3-6-17(7-4-12)11-1-2-11/h3-7,11,15H,1-2,8-10H2/q+1