7-(2-ethylsulfanylcarbothioyloxyethanoylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 7-(2-ethylsulfanylcarbothioyloxyethanoylamino)-3-methyl-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 7-[(2-ethylsulfanylcarbothioyloxyacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 7-[[2-[(ethylthio)-sulfanylidenemethoxy]-1-oxoethyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 7-[(2-ethylsulfanylcarbothioyloxyacetyl)amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 7-[[2-(ethylthio)carbothioyloxyacetyl]amino]-8-keto-3-methyl-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C13H16N2O5S3 MolecularWeight: 376.47154

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=S)OCC(=O)NC1C2N(C1=O)C(=C(CS2)C)C(=O)O

Isomeric SMILES

CCSC(=S)OCC(=O)NC1C2N(C1=O)C(=C(CS2)C)C(=O)O

InChI

InChI=1S/C13H16N2O5S3/c1-3-22-13(21)20-4-7(16)14-8-10(17)15-9(12(18)19)6(2)5-23-11(8)15/h8,11H,3-5H2,1-2H3,(H,14,16)(H,18,19)