[3-(diethylamino)-3-oxidanylidene-prop-1-en-2-yl]sulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: [3-(diethylamino)-3-oxidanylidene-prop-1-en-2-yl]sulfanyl 8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 1-(diethylcarbamoyl)vinylsulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [[3-(diethylamino)-3-oxoprop-1-en-2-yl]thio] ester IUPAC Name: [3-(diethylamino)-3-oxoprop-1-en-2-yl]sulfanyl 8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid [1-(diethylcarbamoyl)vinylthio] ester Formula: C14H18N2O4S2 MolecularWeight: 342.43372

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=C)SOC(=O)C1=CCSC2N1C(=O)C2

Isomeric SMILES

CCN(CC)C(=O)C(=C)SOC(=O)C1=CCSC2N1C(=O)C2

InChI

InChI=1S/C14H18N2O4S2/c1-4-15(5-2)13(18)9(3)22-20-14(19)10-6-7-21-12-8-11(17)16(10)12/h6,12H,3-5,7-8H2,1-2H3