4-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 4-[(1,3-benzothiazol-2-ylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C15H12N2O3S3 MolecularWeight: 364.46238

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Descriptors Computed from Structure

Canonical SMILES:

C1C2N(C1=O)C(=CC(S2)CSC3=NC4=CC=CC=C4S3)C(=O)O

Isomeric SMILES

C1C2N(C1=O)C(=CC(S2)CSC3=NC4=CC=CC=C4S3)C(=O)O

InChI

InChI=1S/C15H12N2O3S3/c18-12-6-13-17(12)10(14(19)20)5-8(22-13)7-21-15-16-9-3-1-2-4-11(9)23-15/h1-5,8,13H,6-7H2,(H,19,20)