7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-pyridin-1-ium-1-ylethanol

Systemtic Name: 7-methanethioyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-pyridin-1-ium-1-ylethanol Openeye Name: 7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-pyridin-1-ium-1-ylethanol CAS Name: 7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-(1-pyridin-1-iumyl)ethanol IUPAC Name: 7-methanethioyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-pyridin-1-ium-1-ylethanol Traditional Name: 8-keto-7-thioformyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; 2-pyridin-1-ium-1-ylethanol Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)C=S)C(=O)[O-].C1=CC=[N+](C=C1)CCO

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)C=S)C(=O)[O-].C1=CC=[N+](C=C1)CCO

InChI

InChI=1S/C8H7NO3S2.C7H10NO/c10-6-4(3-13)7-9(6)5(8(11)12)1-2-14-7;9-7-6-8-4-2-1-3-5-8/h1,3-4,7H,2H2,(H,11,12);1-5,9H,6-7H2/q;+1/p-1