7-(1,3-benzothiazol-2-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(1,3-benzothiazol-2-ylsulfanyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-(1,3-benzothiazol-2-ylthio)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-(1,3-benzothiazol-2-ylsulfanyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-(1,3-benzothiazol-2-ylthio)-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C14H10N2O3S3 MolecularWeight: 350.4358

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(N2C(S1)C(C2=O)SC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1C=C(N2C(S1)C(C2=O)SC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C14H10N2O3S3/c17-11-10(12-16(11)8(13(18)19)5-6-20-12)22-14-15-7-3-1-2-4-9(7)21-14/h1-5,10,12H,6H2,(H,18,19)