8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-sulfanylthiolan-2-one

Systemtic Name: 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-sulfanylthiolan-2-one Openeye Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-sulfanyltetrahydrothiophen-2-one CAS Name: 3-mercapto-2-thiolanone; 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-sulfanylthiolan-2-one Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid; 3-mercaptotetrahydrothiophen-2-one Formula: C11H13NO4S3 MolecularWeight: 319.42022

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=O)C1S.C1C=C(N2C(S1)CC2=O)C(=O)O

Isomeric SMILES

C1CSC(=O)C1S.C1C=C(N2C(S1)CC2=O)C(=O)O

InChI

InChI=1S/C7H7NO3S.C4H6OS2/c9-5-3-6-8(5)4(7(10)11)1-2-12-6;5-4-3(6)1-2-7-4/h1,6H,2-3H2,(H,10,11);3,6H,1-2H2