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

Systemtic Name: 3-(acetyloxymethyl)-7-[2-(diethylcarbamothioylsulfanyl)ethanoylamino]-8-oxidanylidene-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Openeye Name: 3-(acetoxymethyl)-7-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid CAS Name: 3-(acetyloxymethyl)-7-[[2-[[diethylamino(sulfanylidene)methyl]thio]-1-oxoethyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid IUPAC Name: 3-(acetyloxymethyl)-7-[[2-(diethylcarbamothioylsulfanyl)acetyl]amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Traditional Name: 3-(acetoxymethyl)-7-[[2-(diethylthiocarbamoylthio)acetyl]amino]-8-keto-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid Formula: C17H23N3O6S3 MolecularWeight: 461.57602

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=S)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

Isomeric SMILES

CCN(CC)C(=S)SCC(=O)NC1C2N(C1=O)C(=C(CS2)COC(=O)C)C(=O)O

InChI

InChI=1S/C17H23N3O6S3/c1-4-19(5-2)17(27)29-8-11(22)18-12-14(23)20-13(16(24)25)10(6-26-9(3)21)7-28-15(12)20/h12,15H,4-8H2,1-3H3,(H,18,22)(H,24,25)