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

Systemtic Name: 7-azanyl-3-[(2-ethyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-amino-3-[(2-ethylthiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-amino-3-[[(2-ethyl-5-thiazolyl)thio]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-amino-3-[(2-ethyl-1,3-thiazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-amino-3-[[(2-ethylthiazol-5-yl)thio]methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H15N3O3S3 MolecularWeight: 357.4715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O3S3/c1-2-7-15-3-8(22-7)20-4-6-5-21-12-9(14)11(17)16(12)10(6)13(18)19/h3,9,12H,2,4-5,14H2,1H3,(H,18,19)