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

Systemtic Name: 3-(methylsulfanylmethyl)-8-oxidanylidene-7-(2-thiophen-2-ylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Openeye Name: 3-(methylsulfanylmethyl)-8-oxo-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate CAS Name: 3-[(methylthio)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-(methylsulfanylmethyl)-8-oxo-7-[(2-thiophen-2-ylacetyl)amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Traditional Name: 8-keto-3-[(methylthio)methyl]-7-[[2-(2-thienyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate Formula: C15H15N2O4S3- MolecularWeight: 383.4856

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

Isomeric SMILES

CSCC1=C(N2C(C(C2=O)NC(=O)CC3=CC=CS3)SC1)C(=O)[O-]

InChI

InChI=1S/C15H16N2O4S3/c1-22-6-8-7-24-14-11(13(19)17(14)12(8)15(20)21)16-10(18)5-9-3-2-4-23-9/h2-4,11,14H,5-7H2,1H3,(H,16,18)(H,20,21)/p-1