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

Systemtic Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(1,3-benzothiazol-2-ylthio)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-(1,3-benzothiazol-2-ylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 3-[(1,3-benzothiazol-2-ylthio)methyl]-8-keto-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C21H16N3O4S4- MolecularWeight: 502.62944

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(=C(N2C(S1)C(C2=O)NC(=O)CC3=CC=CS3)C(=O)[O-])CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17N3O4S4/c25-15(8-12-4-3-7-29-12)23-16-18(26)24-17(20(27)28)11(9-30-19(16)24)10-31-21-22-13-5-1-2-6-14(13)32-21/h1-7,16,19H,8-10H2,(H,23,25)(H,27,28)/p-1