3-(diethylcarbamothioylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(diethylcarbamothioylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(diethylcarbamothioylsulfanylmethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[[[diethylamino(sulfanylidene)methyl]thio]methyl]-8-oxo-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate IUPAC Name: 3-(diethylcarbamothioylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(diethylthiocarbamoylthio)methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C19H22N3O4S4- MolecularWeight: 484.65568

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

Isomeric SMILES

CCN(CC)C(=S)SCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

InChI

InChI=1S/C19H23N3O4S4/c1-3-21(4-2)19(27)30-10-11-9-29-17-14(16(24)22(17)15(11)18(25)26)20-13(23)8-12-6-5-7-28-12/h5-7,14,17H,3-4,8-10H2,1-2H3,(H,20,23)(H,25,26)/p-1