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

Systemtic Name: 8-oxidanylidene-3-(phenylsulfanylcarbonylamino)-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Openeye Name: 8-oxo-3-(phenylsulfanylcarbonylamino)-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate CAS Name: 8-oxo-3-[[oxo-(phenylthio)methyl]amino]-7-[(1-oxo-2-thiophen-2-ylethyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate IUPAC Name: 8-oxo-3-(phenylsulfanylcarbonylamino)-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Traditional Name: 8-keto-3-[(phenylthio)carbonylamino]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-3-ene-2-carboxylate Formula: C20H16N3O5S3- MolecularWeight: 474.55314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC(=O)NC2=CSC3C(C(=O)N3C2C(=O)[O-])NC(=O)CC4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)SC(=O)NC2=CSC3C(C(=O)N3C2C(=O)[O-])NC(=O)CC4=CC=CS4

InChI

InChI=1S/C20H17N3O5S3/c24-14(9-12-7-4-8-29-12)22-15-17(25)23-16(19(26)27)13(10-30-18(15)23)21-20(28)31-11-5-2-1-3-6-11/h1-8,10,15-16,18H,9H2,(H,21,28)(H,22,24)(H,26,27)/p-1