3-[(4-ethyl-1,3-thiazol-5-yl)sulfanylmethyl]-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-[(4-ethyl-1,3-thiazol-5-yl)sulfanylmethyl]-7-oxidanyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-[(4-ethylthiazol-5-yl)sulfanylmethyl]-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(4-ethyl-5-thiazolyl)thio]methyl]-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-[(4-ethyl-1,3-thiazol-5-yl)sulfanylmethyl]-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-[[(4-ethylthiazol-5-yl)thio]methyl]-7-hydroxy-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H14N2O4S3 MolecularWeight: 358.45626

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=N1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

Isomeric SMILES

CCC1=C(SC=N1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

InChI

InChI=1S/C13H14N2O4S3/c1-2-7-13(22-5-14-7)21-4-6-3-20-11-9(16)10(17)15(11)8(6)12(18)19/h5,9,11,16H,2-4H2,1H3,(H,18,19)