3-[(2-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-[(2-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-[(2-ethylthiazol-5-yl)sulfanylmethyl]-7-hydroxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-[[(2-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-[(2-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-[[(2-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=NC=C(S1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

Isomeric SMILES

CCC1=NC=C(S1)SCC2=C(N3C(C(C3=O)O)SC2)C(=O)O

InChI

InChI=1S/C13H14N2O4S3/c1-2-7-14-3-8(22-7)20-4-6-5-21-12-10(16)11(17)15(12)9(6)13(18)19/h3,10,12,16H,2,4-5H2,1H3,(H,18,19)