3-(cyclohexa-1,4-dien-1-ylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Systemtic Name: 3-(cyclohexa-1,4-dien-1-ylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(cyclohexa-1,4-dien-1-ylsulfanylmethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(1-cyclohexa-1,4-dienylthio)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-(cyclohexa-1,4-dien-1-ylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(cyclohexa-1,4-dien-1-ylthio)methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C20H19N2O4S3- MolecularWeight: 447.57086

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(=C1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)[O-]

Isomeric SMILES

C1C=CCC(=C1)SCC2=C(N3C(C(C3=O)NC(=O)CC4=CC=CS4)SC2)C(=O)[O-]

InChI

InChI=1S/C20H20N2O4S3/c23-15(9-14-7-4-8-27-14)21-16-18(24)22-17(20(25)26)12(11-29-19(16)22)10-28-13-5-2-1-3-6-13/h1-2,4,6-8,16,19H,3,5,9-11H2,(H,21,23)(H,25,26)/p-1