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

Systemtic Name: 3-(acetyloxymethyl)-8-oxidanylidene-7-(2-piperidin-1-ylcarbothioylsulfanylethanoylamino)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-8-oxo-7-[[2-(piperidine-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-piperidinyl(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-(piperidine-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-(piperidine-1-carbothioylthio)acetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C18H23N3O6S3 MolecularWeight: 473.58672

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC(=S)N3CCCCC3)SC1)C(=O)O

Isomeric SMILES

CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CSC(=S)N3CCCCC3)SC1)C(=O)O

InChI

InChI=1S/C18H23N3O6S3/c1-10(22)27-7-11-8-29-16-13(15(24)21(16)14(11)17(25)26)19-12(23)9-30-18(28)20-5-3-2-4-6-20/h13,16H,2-9H2,1H3,(H,19,23)(H,25,26)