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

Systemtic Name: 7-azanyl-3-(ethylsulfanylmethyl)-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Openeye Name: 7-amino-3-(ethylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid CAS Name: 7-amino-3-[(ethylthio)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid IUPAC Name: 7-amino-3-(ethylsulfanylmethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Traditional Name: 7-amino-3-[(ethylthio)methyl]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylic acid Formula: C10H14N2O3S2 MolecularWeight: 274.35976

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC1=CSC2C(C(=O)N2C1C(=O)O)N

Isomeric SMILES

CCSCC1=CSC2C(C(=O)N2C1C(=O)O)N

InChI

InChI=1S/C10H14N2O3S2/c1-2-16-3-5-4-17-9-6(11)8(13)12(9)7(5)10(14)15/h4,6-7,9H,2-3,11H2,1H3,(H,14,15)