3-(acetyloxymethyl)-8-oxidanylidene-7-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-pyrrolidin-1-ylcarbothioylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-8-oxo-7-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-8-oxo-7-[[1-oxo-2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]ethyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-8-oxo-7-[[2-(pyrrolidine-1-carbothioylsulfanyl)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-8-keto-7-[[2-(pyrrolidine-1-carbothioylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H21N3O6S3 MolecularWeight: 459.56014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC(=S)N3CCCC3)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC(=S)N3CCCC3)SC1)C(=O)O

InChI

InChI=1S/C17H21N3O6S3/c1-9(21)26-6-10-7-28-15-12(14(23)20(15)13(10)16(24)25)18-11(22)8-29-17(27)19-4-2-3-5-19/h12,15H,2-8H2,1H3,(H,18,22)(H,24,25)